Geometry & MOs

Info

ID:

170866

PubChem CID:

75287845

Reduced:

O2S2N4H24C25 (1)

Stoich.:

A2B2C4D24E25 (1)

Weight, g/mol:

600.228757

ΔHf, kcal/mol:

25.86

Dipole, Da:

5.93

IP(EA), eV:

 -9.03(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[8-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide;methanesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C=CC(=O)C2C(C3CCCN3C24C5=CC=CC=C5NC4=O)C6=C(N=CS6)C

DOS

IR

Vibrations