Geometry & MOs

Info

ID:

80185

PubChem CID:

49833437

Reduced:

ClS2F3O3N5C28H31 (1)

Stoich.:

AB2C3D3E5F28G31 (1)

Weight, g/mol:

688.240322

ΔHf, kcal/mol:

-215.13

Dipole, Da:

5.24

IP(EA), eV:

 -8.77(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3-aminopyrrolidin-1-yl)-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1CCCN1C2=NC(=CC(=N2)C3=CC=C(C=C3)C(F)(F)F)CNC(=O)[C@@H]4CCCN4S(=O)(=O)C5=CC=C(S5)Cl

DOS

IR

Vibrations