Geometry & MOs

Info

ID:	67682
PubChem CID:	46506960
Reduced:	SN4O4H30C31 (1)
Stoich.:	AB4C4D30E31 (1)
Weight, g/mol:	558.14924
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	5.84
IP(EA), eV:	-8.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(C(=CN3C)C4=CC=CC=C4)N=C2SCC(=O)NC5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations