Geometry & MOs

Info

ID:	67439
PubChem CID:	46506479
Reduced:	SO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	500.151826
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	7.09
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=S

DOS

IR

Vibrations