Geometry & MOs

Info

ID:	51941
PubChem CID:	12014711
Reduced:	SO3H20C23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	290.10955
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	6.24
IP(EA), eV:	-9.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexacyclo[18.2.1.03,12.04,9.013,22.016,21]tricosa-1,3(12),4,6,8,10,13(22),14,16(21),17,19-undecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(/C(=O)C2=CC=CC=C2)\S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations