Geometry & MOs

Info

ID:

320407

PubChem CID:

126660284

Reduced:

O17C106H118 (1)

Stoich.:

A17B106C118 (1)

Weight, g/mol:

571.423674

ΔHf, kcal/mol:

-580.85

Dipole, Da:

9.83

IP(EA), eV:

 -7.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'R,3'aS,6'S,6aS,6bS,9S,12aS,12bR)-4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2(C=CC3=C(O2)C4=C(C=CC(=C4)OC)C5=C3CCC6=CC=CC=C65)C7=CC=C(C=C7)OCCCOC(=O)CCC(=O)C(C)(C)OC(C)CC(C)(C)OC(C)(C)CC(C)OC(C)(C)C(=O)CCC(=O)OCCCOC8=CC=C(C=C8)C9(C=CC1=C(O9)C2=C(C=CC(=C2)OC)C2=C1CCC1=CC=CC=C12)C1=CC=C(C=C1)OC(C)C

DOS

IR

Vibrations