Geometry & MOs

Info

ID:	77934
PubChem CID:	49675006
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-132.13
Dipole, Da:	2.65
IP(EA), eV:	-8.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(8-methoxy-3,5-dimethyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)N(C4=C3C=C(C=C4)OC)C

DOS

IR

Vibrations