Geometry & MOs

Info

ID:	182557
PubChem CID:	76906373
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	304.051778
ΔH_f, kcal/mol:	-181.14
Dipole, Da:	7.55
IP(EA), eV:	-9.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(pyridin-3-ylsulfonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(COC)NC(=O)C1=CC(=C(C=C1)OC)C=CC(=O)O

DOS

IR

Vibrations