Geometry & MOs

Info

ID:	50642
PubChem CID:	12013207
Reduced:	SiO4C28H40 (1)
Stoich.:	AB4C28D40 (1)
Weight, g/mol:	396.20893
ΔH_f, kcal/mol:	-129.94
Dipole, Da:	3.49
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7R,8S,14S)-7,13,13-trimethyl-8,10-diphenyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-5,10-dien-9-one

Drug info:

PubChemData

Smile

CC1([C@H](O[C@@]2([C@]1(OO2)C(C)(C)C)C3=CC(=CC=C3)O[Si](C)(C)C(C)(C)C)C4=CC=CC=C4)C

DOS

IR

Vibrations