Geometry & MOs

Info

ID:	261129
PubChem CID:	103219020
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	414.94722
ΔH_f, kcal/mol:	-60.82
Dipole, Da:	7.23
IP(EA), eV:	-8.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=CC(=O)N(N=C1)CCOC2=CC=CC=C2OC

DOS

IR

Vibrations