Geometry & MOs

Info

ID:	392899
PubChem CID:	135018341
Reduced:	IN2O3C27H31 (1)
Stoich.:	AB2C3D27E31 (1)
Weight, g/mol:	473.140927
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	3.13
IP(EA), eV:	-8.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-4-methyl-13-(4-methylphenyl)sulfonylquinolino[5,6-b][1,4]benzodiazepine-3,8-dione

Drug info:

PubChemData

Smile

CCOC(CI)O[C@@H](C)[C@H](/C=N/N(C1=CC=CC=C1)C2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations