Geometry & MOs

Info

ID:	67440
PubChem CID:	46506485
Reduced:	SN4O4H24C27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	500.151826
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	10.11
IP(EA), eV:	-8.2(-1.42)
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-[(2-methoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

DOS

IR

Vibrations