Geometry & MOs

Info

ID:	31692
PubChem CID:	856146
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	338.120132
ΔH_f, kcal/mol:	21.11
Dipole, Da:	4.11
IP(EA), eV:	-8.72(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations