Geometry & MOs

Info

ID:	439353
PubChem CID:	135229124
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	697.93301
ΔH_f, kcal/mol:	-9.75
Dipole, Da:	4.3
IP(EA), eV:	-8.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12aS)-9-[[5-(chloromethyl)-2,3-diiodo-4-methylphenyl]methoxy]-8-methoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=NC(=NC=C1OCC2=CN(C=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations