Geometry & MOs

Info

ID:	32234
PubChem CID:	6436049
Reduced:	SO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	484.122356
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	7.01
IP(EA), eV:	-9.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(S1)/C(=C/C2=CC=C(C=C2)C(=O)O)/C

DOS

IR

Vibrations