Geometry & MOs

Info

ID:

160558

PubChem CID:

57389038

Reduced:

SN2F3O5C19H19 (1)

Stoich.:

AB2C3D5E19F19 (1)

Weight, g/mol:

760.31688

ΔHf, kcal/mol:

-317.81

Dipole, Da:

5.83

IP(EA), eV:

 -9.96(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) N-[5-[3-[[2-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-1-benzothiophen-5-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations