Geometry & MOs

Info

ID:	337090
PubChem CID:	127256655
Reduced:	IO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	342.09258
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	3.23
IP(EA), eV:	-9.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-5-(benzenesulfonyl)-6-[(E)-2-phenylethenyl]oxan-2-one

Drug info:

PubChemData

Smile

CCCCCC/C=C/C/C=C/C/C=C/CC(C1CCCC(=O)O1)I

DOS

IR

Vibrations