Geometry & MOs

Info

ID:	86473
PubChem CID:	49885980
Reduced:	Cl2S2N3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	412.139154
ΔH_f, kcal/mol:	81.1
Dipole, Da:	4.87
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CSC3=CC=CC=C3

DOS

IR

Vibrations