Geometry & MOs

Info

ID:	227686
PubChem CID:	87562225
Reduced:	SiO3N5C31H33 (1)
Stoich.:	AB3C5D31E33 (1)
Weight, g/mol:	893.21963
ΔH_f, kcal/mol:	-24.91
Dipole, Da:	10.18
IP(EA), eV:	-8.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-carboniodidoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,6-diethylpiperidine-1-carboxylate

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(=O)NC1=CC=CC\2=C1NC(=O)/C2=C\C3=CC4=C(C=C3)C(=NN4COCC[Si](C)(C)C)/C=C/C5=CC=NC=C5

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(=O)NC1=CC=CC\2=C1NC(=O)/C2=C\C3=CC4=C(C=C3)C(=NN4COCC[Si](C)(C)C)/C=C/C5=CC=NC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):