Geometry & MOs

Info

ID:	125520
PubChem CID:	50927553
Reduced:	ClSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	418.123025
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	3.79
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=C(C=C(C=C3)C)Cl

DOS

IR

Vibrations