Geometry & MOs

Info

ID:	404200
PubChem CID:	135065385
Reduced:	FO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	393.11765
ΔH_f, kcal/mol:	-104.72
Dipole, Da:	0.6
IP(EA), eV:	-9.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-benzyl-3-[(1S)-1-fluoro-2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=C)C1=CC=CC=C1)F

DOS

IR

Vibrations