Geometry & MOs

Info

ID:	67441
PubChem CID:	46506486
Reduced:	SN4O4H24C27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	500.151826
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	8.71
IP(EA), eV:	-8.49(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5OC

DOS

IR

Vibrations