Geometry & MOs

Info

ID:	146919
PubChem CID:	53772156
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	456.091056
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	3.75
IP(EA), eV:	-8.96(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-pyridin-3-ylethyl]phenyl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2CCN1C(=O)O[C@@H]3CN4CCC3CC4

DOS

IR

Vibrations