Geometry & MOs

Info

ID:	15733
PubChem CID:	448307
Reduced:	N5O6C21H23 (1)
Stoich.:	A5B6C21D23 (1)
Weight, g/mol:	441.164833
ΔH_f, kcal/mol:	-206.25
Dipole, Da:	12.76
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=CNC2=C1C(=O)N=C(N2)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations