Geometry & MOs

Info

ID:	301466
PubChem CID:	123080880
Reduced:	SCl2N4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	510.02806
ΔH_f, kcal/mol:	134.62
Dipole, Da:	4.58
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromophenyl)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-(2-phenylethyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC(=CC=C3)Cl)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations