Geometry & MOs

Info

ID:	86156
PubChem CID:	49882203
Reduced:	ON3S3H15C16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	432.084531
ΔH_f, kcal/mol:	70.78
Dipole, Da:	5.72
IP(EA), eV:	-8.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)C2=CC=CS2)CSC3=CC=CC=C3

DOS

IR

Vibrations