Geometry & MOs

Info

ID:	44528
PubChem CID:	10503908
Reduced:	PO3C28H39 (1)
Stoich.:	AB3C28D39 (1)
Weight, g/mol:	454.290322
ΔH_f, kcal/mol:	-165.08
Dipole, Da:	4.61
IP(EA), eV:	-9.47(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-3-hept-1-ynyl-6,6-dimethyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one

Drug info:

PubChemData

Smile

CCCCC[C@H]1CC2(CCC[C@@H]1P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)O[C@@H]([C@H](O2)C)C

DOS

IR

Vibrations