Geometry & MOs

Info

ID:	237941
PubChem CID:	92722922
Reduced:	N2O2F3H17C23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	410.124212
ΔH_f, kcal/mol:	-148.59
Dipole, Da:	6.5
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N1[C@H](CC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations