Geometry & MOs

Info

ID:

223860

PubChem CID:

85335670

Reduced:

F2S3O7C28H32 (1)

Stoich.:

A2B3C7D28E32 (1)

Weight, g/mol:

624.210781

ΔHf, kcal/mol:

-368.17

Dipole, Da:

6.83

IP(EA), eV:

 -8.87(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4',9'-dihydroxy-6'-methoxy-3-penta-1,3-dienyl-5-piperidin-4-ylidenespiro[3,4,4a,6,7,9a-hexahydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[g]naphthalene]-1,1',3',5',8',9-hexone

Drug info:

PubChemData

Smile

CC12CC(C3(C(C1CCC2(C(=O)SC4CCOC4=O)OC(=O)C5SCCS5)CC(C6=CC(=O)C=CC63C)F)F)O

DOS

IR

Vibrations