Geometry & MOs

Info

ID:

393590

PubChem CID:

135021160

Reduced:

O7C27H34 (1)

Stoich.:

A7B27C34 (1)

Weight, g/mol:

352.134241

ΔHf, kcal/mol:

-260.58

Dipole, Da:

3.34

IP(EA), eV:

 -9.3(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'S,4'R)-4'-chloro-3'-ethenyl-2'-isocyano-3',7',7'-trimethylspiro[1H-indole-3,8'-bicyclo[4.2.0]oct-1-ene]-2-one

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H]2[C@@H]([C@H](OC(O2)(C)C)[C@@H](C=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations