Geometry & MOs

Info

ID:

219119

PubChem CID:

85090615

Reduced:

SN5O9C24H31 (1)

Stoich.:

AB5C9D24E31 (1)

Weight, g/mol:

565.261043

ΔHf, kcal/mol:

-307.16

Dipole, Da:

6.85

IP(EA), eV:

 -9.19(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CS(=O)C2=NC3=C(N=CN=C3N2C4C(C(C(O4)CO)O)O)N)O

DOS

IR

Vibrations