Geometry & MOs

Info

ID:	125521
PubChem CID:	50927625
Reduced:	ClSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	5.61
IP(EA), eV:	-8.86(-0.77)
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-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC(=C(C=C3)C)Cl

DOS

IR

Vibrations