Geometry & MOs

Info

ID:	148214
PubChem CID:	53787876
Reduced:	FH2N3O3C6 (1)
Stoich.:	AB2C3D3E6 (1)
Weight, g/mol:	432.175733
ΔH_f, kcal/mol:	17.52
Dipole, Da:	6.05
IP(EA), eV:	-10.89(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1ON=N2)[N+](=O)[O-])F

DOS

IR

Vibrations