Geometry & MOs

Info

ID:	164527
PubChem CID:	74412508
Reduced:	BrSiN4O6C40H57 (1)
Stoich.:	ABC4D6E40F57 (1)
Weight, g/mol:	830.07961
ΔH_f, kcal/mol:	-309.13
Dipole, Da:	4.36
IP(EA), eV:	-8.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[1-(3-chloroprop-2-enoxyamino)propylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione;(2-iodophenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(CC2=C(NC3=CC=CC=C32)Br)N(C)C(=O)C(C)NC(=O)C(C)CC(=C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(CC2=C(NC3=CC=CC=C32)Br)N(C)C(=O)C(C)NC(=O)C(C)CC(=C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):