Geometry & MOs

Info

ID:

219619

PubChem CID:

85154873

Reduced:

O11C26H26 (1)

Stoich.:

A11B26C26 (1)

Weight, g/mol:

514.159866

ΔHf, kcal/mol:

-406.93

Dipole, Da:

4.42

IP(EA), eV:

 -9.38(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C)O)OC)O)O

DOS

IR

Vibrations