Geometry & MOs

Info

ID:	339276
PubChem CID:	127260655
Reduced:	NS2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-117.52
Dipole, Da:	8.9
IP(EA), eV:	-8.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[(2Z)-2-hydroxyimino-2-phenylethyl]-5-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)S(=O)O/N=C\2/CCCCC2=O

DOS

IR

Vibrations