Geometry & MOs

Info

ID:	121030
PubChem CID:	50753712
Reduced:	N2S3O5H18C20 (1)
Stoich.:	A2B3C5D18E20 (1)
Weight, g/mol:	349.040024
ΔH_f, kcal/mol:	-113.68
Dipole, Da:	8.03
IP(EA), eV:	-9.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)S(=O)(=O)NCC(C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4)NC1=O

DOS

IR

Vibrations