Geometry & MOs

Info

ID:	121826
PubChem CID:	50782775
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	414.1591
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	4.53
IP(EA), eV:	-8.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxycarbonylpiperidin-1-yl)-2-[(2-fluorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCN(C2)C3=CC(=C(C=C3)NC(=O)C(C)C)C(=O)O

DOS

IR

Vibrations