Geometry & MOs

Info

ID:	43049
PubChem CID:	10318191
Reduced:	ClO4N5H16C17 (1)
Stoich.:	AB4C5D16E17 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	114.7
Dipole, Da:	16.56
IP(EA), eV:	-9.88(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-butoxycarbonyl-3-chloroanilino)-2-oxoethyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC2=[N+]1C3=CC=CC=C3N2)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations