Geometry & MOs

Info

ID:

382684

PubChem CID:

134973995

Reduced:

SN4O4C17H31 (1)

Stoich.:

AB4C4D17E31 (1)

Weight, g/mol:

298.156895

ΔHf, kcal/mol:

-165.55

Dipole, Da:

4.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774329

Charge, e:

 0

Chem-info

IUPAC name:

(8R,10S)-11,16,16-trimethylspiro[15-oxapentacyclo[8.4.1.111,14.01,10.02,7]hexadeca-2,4,6-triene-8,2'-oxirane]-12-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)CCCN2C=C[N+](=C2)C

DOS

IR

Vibrations