Geometry & MOs

Info

ID:	68122
PubChem CID:	46507787
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	334.06551
ΔH_f, kcal/mol:	85.82
Dipole, Da:	8.54
IP(EA), eV:	-9.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanyl-3-(propan-2-ylamino)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)/C(=C(\NC)/SC)/C#N

DOS

IR

Vibrations