Geometry & MOs

Info

ID:

437888

PubChem CID:

135227227

Reduced:

SN4O6C28H44 (1)

Stoich.:

AB4C6D28E44 (1)

Weight, g/mol:

464.245727

ΔHf, kcal/mol:

-253.76

Dipole, Da:

7.56

IP(EA), eV:

 -9.67(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,8S)-N-[(1R)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-11,11-dimethyl-9-azadispiro[3.1.46.14]undecane-8-carboxamide

Drug info:

PubChemData

Smile

CC1([C@]2(C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(=O)NS(=O)(=O)N4CCCC4)CC15CCC5)C

DOS

IR

Vibrations