Geometry & MOs

Info

ID:	168892
PubChem CID:	75038193
Reduced:	ClOS2N4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	334.117629
ΔH_f, kcal/mol:	40.63
Dipole, Da:	4.36
IP(EA), eV:	-8.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-fluoro-5-hydroxy-6-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CSC1=NNC2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl

DOS

IR

Vibrations