Geometry & MOs

Info

ID:

228312

PubChem CID:

87563901

Reduced:

N5O5C30H33 (1)

Stoich.:

A5B5C30D33 (1)

Weight, g/mol:

746.242665

ΔHf, kcal/mol:

-74.24

Dipole, Da:

4.18

IP(EA), eV:

 -9.06(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1-methyl-4-piperidin-4-ylpiperidin-1-ium-1-yl) N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-6-fluoro-2-oxoindol-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1=CC(=CC(=N1)C2=CC=C(C=C2)C#CC3=CN=CC=C3)C(=O)NO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations