Geometry & MOs

Info

ID:	328497
PubChem CID:	126723580
Reduced:	O7H26C30 (1)
Stoich.:	A7B26C30 (1)
Weight, g/mol:	426.202696
ΔH_f, kcal/mol:	-179.01
Dipole, Da:	4.95
IP(EA), eV:	-9.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R)-4-(4-amino-2-oxopyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] octanoate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]([C@@]([C@H](O1)OC(=O)C2=CC=CC=C2)(C#CC)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations