Geometry & MOs

Info

ID:	31279
PubChem CID:	855520
Reduced:	ClSO2N3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	8.81
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-N-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations