Geometry & MOs

Info

ID:

395941

PubChem CID:

135026997

Reduced:

S2O5N7H63C65 (1)

Stoich.:

A2B5C7D63E65 (1)

Weight, g/mol:

352.134241

ΔHf, kcal/mol:

93.7

Dipole, Da:

13.38

IP(EA), eV:

 -8.06(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'S,5'R,6'S)-3'-chloro-2'-ethenyl-2'-methyl-2-oxo-5'-prop-1-en-2-ylspiro[1H-indole-3,7'-bicyclo[4.1.0]heptane]-1'-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(S3)C(=C(C#N)C#N)C(=C(C#N)C#N)C4=CC=C(C=C4)OC)C1=O)C5=CC=C(S5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC

DOS

IR

Vibrations