Geometry & MOs

Info

ID:	82713
PubChem CID:	49856384
Reduced:	O5N7C20H25 (1)
Stoich.:	A5B7C20D25 (1)
Weight, g/mol:	509.118588
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	6.79
IP(EA), eV:	-8.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]-4-hydroxybutanoic acid;dihydrogen phosphate

Drug info:

PubChemData

Smile

CN1C(C=NC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)CN[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations