Geometry & MOs

Info

ID:	224298
PubChem CID:	85341193
Reduced:	SO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	286.229666
ΔH_f, kcal/mol:	-5.88
Dipole, Da:	2.61
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,11-trimethyl-14-propan-2-ylidenecyclotetradeca-5,6,10-trien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C2(C(O2)(C)C3=CC=CC=C3)C

DOS

IR

Vibrations