Geometry & MOs

Info

ID:	397452
PubChem CID:	135030237
Reduced:	PO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	468.133966
ΔH_f, kcal/mol:	-258.75
Dipole, Da:	0.55
IP(EA), eV:	-8.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-16-chloro-11-hydroxy-3,17-dimethoxy-11-methyl-14-phenylmethoxy-8-oxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-9-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2=CC=CC=C2)OP(=O)(OC)OC)OC

DOS

IR

Vibrations