Geometry & MOs

Info

ID:

160584

PubChem CID:

57389131

Reduced:

SF3N3O3C19H22 (1)

Stoich.:

AB3C3D3E19F22 (1)

Weight, g/mol:

705.340058

ΔHf, kcal/mol:

-234.3

Dipole, Da:

6.65

IP(EA), eV:

 -9.49(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2R)-N-[5-[3-[[5-(ethylaminomethyl)pyridin-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]-2-hydroxy-2-[(8-hydroxy-2-oxo-1H-quinolin-5-yl)oxy]-1,1-dimethylpiperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCNCC1=CC=CC=C1)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations