Geometry & MOs

Info

ID:	86210
PubChem CID:	49882907
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	478.090011
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	3.98
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCN)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations