Geometry & MOs

Info

ID:	31437
PubChem CID:	855718
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	31.61
Dipole, Da:	4.78
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations