Geometry & MOs

Info

ID:	36540
PubChem CID:	8008128
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	333.11765
ΔH_f, kcal/mol:	-215.88
Dipole, Da:	6.71
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3,5-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F

DOS

IR

Vibrations