Geometry & MOs

Info

ID:	217514
PubChem CID:	85087927
Reduced:	SO4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	370.19328
ΔH_f, kcal/mol:	0.99
Dipole, Da:	5.73
IP(EA), eV:	-9.4(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-7,11-bis(phenylmethoxy)pentacyclo[6.3.0.02,6.03,10.05,9]undecane

Drug info:

PubChemData

Smile

CC1(CCC2C=C(C1O2)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations