Geometry & MOs

Info

ID:	31438
PubChem CID:	855719
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	35.47
Dipole, Da:	8.09
IP(EA), eV:	-8.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations