Geometry & MOs

Info

ID:	391746
PubChem CID:	135009193
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	436.170601
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	1.85
IP(EA), eV:	-10.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione

Drug info:

PubChemData

Smile

CCC(CC)(C=C)OC(=O)C=C

DOS

IR

Vibrations