Geometry & MOs

Info

ID:

80186

PubChem CID:

49833441

Reduced:

SF3O5N8C31H35 (1)

Stoich.:

AB3C5D8E31F35 (1)

Weight, g/mol:

610.185921

ΔHf, kcal/mol:

-293.95

Dipole, Da:

4.35

IP(EA), eV:

 -9.26(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(ethylcarbamoylamino)-4-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-3-yl]-1-[(1-methylimidazol-4-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C(F)(F)F)C3=C(N=C4C(=C3)C(=O)C(=CN4[C@H](CO)C(C)(C)C)C(=O)O)N5CCC(C5)N

DOS

IR

Vibrations