Geometry & MOs

Info

ID:	125519
PubChem CID:	50927550
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	418.123025
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	4.43
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations