Geometry & MOs

Info

ID:	301514
PubChem CID:	123083990
Reduced:	ClS2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	500.039601
ΔH_f, kcal/mol:	139.04
Dipole, Da:	6.21
IP(EA), eV:	-9.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=N\N2C(=NN=C2SCC3=CC=CC=C3Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations