Geometry & MOs

Info

ID:	321806
PubChem CID:	126667003
Reduced:	O2F3N6C18H19 (1)
Stoich.:	A2B3C6D18E19 (1)
Weight, g/mol:	428.06953
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	4.71
IP(EA), eV:	-9.04(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-(azidomethyl)cyclobutyl]oxy-2-(4-bromo-5-hydroxy-2-oxopyridin-1-yl)butanoate

Drug info:

PubChemData

Smile

C1C[C@H]([C@H]([C@@H]1NC2C3C(=NNC3=NC=N2)C(=O)NCC4=C(C=CC(=C4)F)F)O)F

DOS

IR

Vibrations