Geometry & MOs

Info

ID:	301462
PubChem CID:	123080871
Reduced:	ClOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	433.112795
ΔH_f, kcal/mol:	100.45
Dipole, Da:	5.18
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations