Geometry & MOs

Info

ID:

445503

PubChem CID:

135267435

Reduced:

N4S4O8C53H54 (1)

Stoich.:

A4B4C8D53E54 (1)

Weight, g/mol:

355.093247

ΔHf, kcal/mol:

-163.88

Dipole, Da:

4.72

IP(EA), eV:

 -8.69(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

Drug info:

PubChemData

Smile

CN1C(=O)[C@]2(N(C(=O)[C@@]1(SC(S2)C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)C[C@]56C(=O)N([C@]7(C5(N(C7=O)C)SC(S6)C8=CC=C(C=C8)OC)COCC9=CC=CC=C9)C)C)COCC1=CC=CC=C1

DOS

IR

Vibrations