Geometry & MOs

Info

ID:	125502
PubChem CID:	50927317
Reduced:	ClSO2N4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	5.37
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(N3)C)N=C2SCC(=O)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations