Geometry & MOs

Info

ID:	141867
PubChem CID:	52942831
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	-223.91
Dipole, Da:	1.22
IP(EA), eV:	-8.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one

Drug info:

PubChemData

Smile

CN(C)[C@@H]1[C@H]2CC3=C(C(=C4C(=C3)C=CC=C4O)O)C(=O)C2=C(/C(=C(\N)/O)/C1=O)O

DOS

IR

Vibrations