Geometry & MOs

Info

ID:	86107
PubChem CID:	49881881
Reduced:	OCl2S2N4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	490.04967
ΔH_f, kcal/mol:	13.01
Dipole, Da:	7.58
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC(=C2)Cl)Cl)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations