Geometry & MOs

Info

ID:	86088
PubChem CID:	49881764
Reduced:	OCl2S2N4C22H22 (1)
Stoich.:	AB2C2D4E22F22 (1)
Weight, g/mol:	419.01255
ΔH_f, kcal/mol:	37.89
Dipole, Da:	9.92
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations