Geometry & MOs

Info

ID:	31374
PubChem CID:	855634
Reduced:	OSN5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	296.04986
ΔH_f, kcal/mol:	21.3
Dipole, Da:	5.23
IP(EA), eV:	-8.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=CC=C3N

DOS

IR

Vibrations