Geometry & MOs

Info

ID:	386619
PubChem CID:	134982368
Reduced:	PSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	326.203451
ΔH_f, kcal/mol:	-169.27
Dipole, Da:	5.22
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptacyclo[16.7.0.02,9.05,22.06,13.010,17.014,21]pentacosa-1,5(22),6(13),9,14(21),17-hexaene

Drug info:

PubChemData

Smile

CCOP(=O)(/C=C/C=C/S(=O)C1=CC=C(C=C1)C)OCC

DOS

IR

Vibrations