Geometry & MOs

Info

ID:

43777

PubChem CID:

10321779

Reduced:

N3O7C23H25 (1)

Stoich.:

A3B7C23D25 (1)

Weight, g/mol:

455.180484

ΔHf, kcal/mol:

-199.9

Dipole, Da:

2.08

IP(EA), eV:

 -9.21(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[6-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-3-oxo-1H-isoindol-2-yl]pentanedioic acid

Drug info:

PubChemData

Smile

CN1[C@@H]2[C@H]1[C@@]3([C@H](C4=C(N3C2)C(=O)C(C5(C4=O)OCCO5)CC6=CC=CC=C6)COC(=O)N)O

DOS

IR

Vibrations