Geometry & MOs

Info

ID:	314233
PubChem CID:	126620976
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	488.181961
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	3.15
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)-3-methylbutyl]-3-fluoropyridine-2-carbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1CCCCC(CCC1)C2(C3=CC=CC=C3NC2=O)O

DOS

IR

Vibrations