Geometry & MOs

Info

ID:

219054

PubChem CID:

85090416

Reduced:

O5N6C29H30 (1)

Stoich.:

A5B6C29D30 (1)

Weight, g/mol:

544.248584

ΔHf, kcal/mol:

-3.12

Dipole, Da:

6.53

IP(EA), eV:

 -8.48(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-fluoro-4-phenylphenyl)-3-[[2-[2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)CC2=CC3=NC(=O)C4=C(C=C(C=C4)C5=CC(=C(C=C5)[N+](=O)[O-])OC)N=C3C=C2

DOS

IR

Vibrations