Geometry & MOs

Info

ID:	301515
PubChem CID:	123084065
Reduced:	SCl3N4H19C24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	476.14376
ΔH_f, kcal/mol:	132.21
Dipole, Da:	5.06
IP(EA), eV:	-9.01(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC(=C(C=C3)Cl)Cl)SCC4=CC=CC=C4Cl

DOS

IR

Vibrations