Geometry & MOs

Info

ID:	301465
PubChem CID:	123080879
Reduced:	ClOSN4H25C26 (1)
Stoich.:	ABCD4E25F26 (1)
Weight, g/mol:	466.078573
ΔH_f, kcal/mol:	94.63
Dipole, Da:	9.18
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations