Geometry & MOs

Info

ID:	121897
PubChem CID:	50785901
Reduced:	SO3N5H21C25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	16.34
Dipole, Da:	3.04
IP(EA), eV:	-8.76(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-benzyl-4-oxo-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=C(C3=N2)SC5=CC=CC(=C5)OC

DOS

IR

Vibrations