Geometry & MOs

Info

ID:	55573
PubChem CID:	17395581
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	5.29
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)propyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1SC(C)C(=O)N2CCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations