Geometry & MOs

Info

ID:	130994
PubChem CID:	51140528
Reduced:	O2N3S3H9C10 (1)
Stoich.:	A2B3C3D9E10 (1)
Weight, g/mol:	340.076075
ΔH_f, kcal/mol:	79.82
Dipole, Da:	5.02
IP(EA), eV:	-8.87(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CSC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations