Geometry & MOs

Info

ID:	395725
PubChem CID:	135026355
Reduced:	SiN4O5C29H46 (1)
Stoich.:	AB4C5D29E46 (1)
Weight, g/mol:	474.172562
ΔH_f, kcal/mol:	-254.38
Dipole, Da:	2.5
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,9bS)-N-benzyl-8-methoxy-4-(2-nitrophenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbothioamide

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@@H]1[C@H]([C@@H](C2=C(N1)C=NN2C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3)CCO[Si](C)(C)C(C)(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@@H]1[C@H]([C@@H](C2=C(N1)C=NN2C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3)CCO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):