Geometry & MOs

Info

ID:

304398

PubChem CID:

124579876

Reduced:

O7H20C24 (1)

Stoich.:

A7B20C24 (1)

Weight, g/mol:

423.22704

ΔHf, kcal/mol:

-220.34

Dipole, Da:

9.43

IP(EA), eV:

 -9.91(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-N-(2,4-dimethylphenyl)-2-[(2S)-2-ethylpiperidin-1-yl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)C(=O)O3

DOS

IR

Vibrations