Geometry & MOs

Info

ID:	301334
PubChem CID:	123080389
Reduced:	ClSO2N4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	390.047273
ΔH_f, kcal/mol:	37.02
Dipole, Da:	5.28
IP(EA), eV:	-8.95(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=C(C=C2)C(=O)O)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations