Geometry & MOs

Info

ID:	31446
PubChem CID:	855730
Reduced:	OSN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-10.53
Dipole, Da:	4.94
IP(EA), eV:	-8.56(-0.6)
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-(3,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)C(C)C

DOS

IR

Vibrations