Geometry & MOs

Info

ID:	36625
PubChem CID:	8010020
Reduced:	OSCl2N4C17H20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	373.076409
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	2.74
IP(EA), eV:	-8.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)SCC(=O)NC2=C(C=C(C=N2)Cl)Cl)C3CCCC3)C

DOS

IR

Vibrations