Geometry & MOs

Info

ID:	31440
PubChem CID:	855721
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	1.87
Dipole, Da:	10.98
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations