Geometry & MOs

Info

ID:

297849

PubChem CID:

117633779

Reduced:

SO3N4H20C21 (1)

Stoich.:

AB3C4D20E21 (1)

Weight, g/mol:

571.423674

ΔHf, kcal/mol:

-19.57

Dipole, Da:

4.79

IP(EA), eV:

 -9.05(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'R,3'aS,6'S,6bS,7'aR,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

COC(=O)C1=CSC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCCC4

DOS

IR

Vibrations