Geometry & MOs

Info

ID:	279113
PubChem CID:	103841253
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	414.94722
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	14.18
IP(EA), eV:	-9.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(3-chloro-4-iodobenzoyl)anilino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)N(CC(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations