Geometry & MOs

Info

ID:	31439
PubChem CID:	855720
Reduced:	OSN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-11.38
Dipole, Da:	5.98
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations