Geometry & MOs

Info

ID:	328510
PubChem CID:	126723741
Reduced:	N3O5C11H17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	400.083742
ΔH_f, kcal/mol:	-211.34
Dipole, Da:	3.79
IP(EA), eV:	-9.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-[(1R)-2-chloro-1-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-fluoro-4-hydroxybutan-2-yl] benzoate

Drug info:

PubChemData

Smile

C[C@]1(C([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)O)O)CO

DOS

IR

Vibrations