Geometry & MOs

Info

ID:	122455
PubChem CID:	50807341
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	428.211136
ΔH_f, kcal/mol:	-98.01
Dipole, Da:	5.83
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-(3,3-dimethyl-2-oxobutyl)amino]-5-[(2-fluorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)O

DOS

IR

Vibrations