Geometry & MOs

Info

ID:	216555
PubChem CID:	85086415
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	7.07
IP(EA), eV:	-9.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyclohexyl-3-(1-hydroxycyclohexyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCC1=C(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations