Geometry & MOs

Info

ID:	3718
PubChem CID:	10063
Reduced:	OC6H8 (4)
Stoich.:	AB6C8 (4)
Weight, g/mol:	384.23006
ΔH_f, kcal/mol:	-167.58
Dipole, Da:	5.8
IP(EA), eV:	-9.4(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S,4R,6R,7R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O

DOS

IR

Vibrations