Geometry & MOs

Info

ID:

49802

PubChem CID:

11533846

Reduced:

N2S2O4H26C29 (1)

Stoich.:

A2B2C4D26E29 (1)

Weight, g/mol:

530.256292

ΔHf, kcal/mol:

-65.27

Dipole, Da:

6.88

IP(EA), eV:

 -8.44(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1R,5S)-8-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)C)N)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations