Geometry & MOs

Info

ID:	31196
PubChem CID:	855123
Reduced:	ClOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	322.06551
ΔH_f, kcal/mol:	45.62
Dipole, Da:	3.69
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3CC3

DOS

IR

Vibrations