Geometry & MOs

Info

ID:	283173
PubChem CID:	103962222
Reduced:	ISN2O5H9C11 (1)
Stoich.:	ABC2D5E9F11 (1)
Weight, g/mol:	423.00013
ΔH_f, kcal/mol:	-98.19
Dipole, Da:	6.16
IP(EA), eV:	-9.64(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azocan-1-ylsulfonyl)-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)I)C(=O)O

DOS

IR

Vibrations