Geometry & MOs

Info

ID:	301441
PubChem CID:	123080791
Reduced:	ClOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	490.15941
ΔH_f, kcal/mol:	104.06
Dipole, Da:	7.63
IP(EA), eV:	-8.76(-1.06)
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-(3-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations