Geometry & MOs

Info

ID:	67683
PubChem CID:	46506961
Reduced:	ClSO3N4H27C30 (1)
Stoich.:	ABC3D4E27F30 (1)
Weight, g/mol:	586.10381
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	7.05
IP(EA), eV:	-8.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-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(=C(C=C5)OC)Cl

DOS

IR

Vibrations