Geometry & MOs

Info

ID:	272870
PubChem CID:	103763164
Reduced:	ClINO3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	420.99417
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	2.15
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(4-chloro-2-iodoanilino)-2-oxoethyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

C1C=CCC(C1C(=O)NC2=C(C=C(C=C2)Cl)I)C(=O)O

DOS

IR

Vibrations