Geometry & MOs

Info

ID:	51170
PubChem CID:	12013804
Reduced:	SSiO3C21H36 (1)
Stoich.:	ABC3D21E36 (1)
Weight, g/mol:	294.16198
ΔH_f, kcal/mol:	-186.45
Dipole, Da:	4.69
IP(EA), eV:	-8.04(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,9S,11S,12R,19S)-hexacyclo[9.9.0.02,9.03,7.012,19.013,17]icosa-3(7),13(17)-diene-6,16-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)/C(=C/C(C)C)/C([C@H](C)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations