Geometry & MOs

Info

ID:	404388
PubChem CID:	135066120
Reduced:	OSH24C28 (1)
Stoich.:	ABC24D28 (1)
Weight, g/mol:	405.141008
ΔH_f, kcal/mol:	70.1
Dipole, Da:	5.26
IP(EA), eV:	-8.24(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-[5-fluoro-2-(1-pyridin-2-ylsulfonylpropan-2-yl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2C3=C(C=CC=C3/C=C/C4=CC=CC=C4)C

DOS

IR

Vibrations