Geometry & MOs

Info

ID:	238582
PubChem CID:	92741987
Reduced:	FN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	3.67
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)[C@@H](CC(C)C)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations