Geometry & MOs

Info

ID:

185295

PubChem CID:

77281895

Reduced:

O2N5C22H23 (1)

Stoich.:

A2B5C22D23 (1)

Weight, g/mol:

660.249687

ΔHf, kcal/mol:

8.17

Dipole, Da:

7.96

IP(EA), eV:

 -8.66(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-[3-[1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-fluorophenoxy]pentanoic acid

Drug info:

PubChemData

Smile

CN1CCCC(C1)OC2=CC=CC3=NC(=O)C(C(=C32)N)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations