Geometry & MOs

Info

ID:	86474
PubChem CID:	49885984
Reduced:	OS2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	398.123504
ΔH_f, kcal/mol:	39.97
Dipole, Da:	5.59
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C)CSC3=CC=CC=C3)C

DOS

IR

Vibrations