Geometry & MOs

Info

ID:	261123
PubChem CID:	103218837
Reduced:	ClINSO3H9C13 (1)
Stoich.:	ABCDE3F9G13 (1)
Weight, g/mol:	414.94722
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	8.85
IP(EA), eV:	-9.24(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C2=CC(=C(C=C2)I)Cl)C(=O)O

DOS

IR

Vibrations