Geometry & MOs

Info

ID:	67479
PubChem CID:	46506550
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	512.20597
ΔH_f, kcal/mol:	-76.17
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-[5,8-dimethyl-3-(3-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)/C(=C/NCC4=CC=CO4)/S2(=O)=O

DOS

IR

Vibrations