Geometry & MOs

Info

ID:	261135
PubChem CID:	103219212
Reduced:	ClINO4H11C12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	420.99417
ΔH_f, kcal/mol:	-132.75
Dipole, Da:	3.88
IP(EA), eV:	-10.05(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-chloro-4-iodobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC1(C(=O)O)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations