Geometry & MOs

Info

ID:	151518
PubChem CID:	53837751
Reduced:	OC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	464.132731
ΔH_f, kcal/mol:	5.61
Dipole, Da:	0.68
IP(EA), eV:	-8.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R,6R)-5-methyl-6-[(4-methylphenyl)sulfonyloxymethyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1C=CC(=CO1)CC2=CC=CC=C2

DOS

IR

Vibrations