Geometry & MOs

Info

ID:	32518
PubChem CID:	7840779
Reduced:	ClFNO3C17H21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	338.049191
ΔH_f, kcal/mol:	-192.37
Dipole, Da:	6.59
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-4-imino-2-oxopentyl) 3-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations