Geometry & MOs

Info

ID:	31323
PubChem CID:	855575
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	5.02
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations