Geometry & MOs

Info

ID:

179737

PubChem CID:

76523453

Reduced:

N5O11C50H65 (1)

Stoich.:

A5B11C50D65 (1)

Weight, g/mol:

479.183204

ΔHf, kcal/mol:

-294.28

Dipole, Da:

17.18

IP(EA), eV:

 -7.63(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-benzyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,5-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3NCC5=CC=CC=C5)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=O)C2=CNN6CCN(CC6)C)O)C

DOS

IR

Vibrations