Geometry & MOs

Info

ID:	86106
PubChem CID:	49881877
Reduced:	ClO2S2N4C21H23 (1)
Stoich.:	AB2C2D4E21F23 (1)
Weight, g/mol:	480.061209
ΔH_f, kcal/mol:	-8.36
Dipole, Da:	9.29
IP(EA), eV:	-8.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NN=C(N2C)SC(C)C(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations