Geometry & MOs

Info

ID:

305349

PubChem CID:

124772001

Reduced:

SO2N4C25H32 (1)

Stoich.:

AB2C4D25E32 (1)

Weight, g/mol:

395.257277

ΔHf, kcal/mol:

-27.52

Dipole, Da:

3.02

IP(EA), eV:

 -8.44(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,8S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4OC)C

DOS

IR

Vibrations