Geometry & MOs

Info

ID:	261130
PubChem CID:	103219083
Reduced:	ClINO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	478.84208
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	4.11
IP(EA), eV:	-9.41(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[(3-chloro-4-iodobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)I)Cl)C(=O)O

DOS

IR

Vibrations