Geometry & MOs

Info

ID:

80119

PubChem CID:

49833082

Reduced:

ClS2F3O5N6C30H34 (1)

Stoich.:

AB2C3D5E6F30G34 (1)

Weight, g/mol:

617.166823

ΔHf, kcal/mol:

-310.6

Dipole, Da:

3.14

IP(EA), eV:

 -9.1(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCN(C1)C2=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