Geometry & MOs

Info

ID:	181811
PubChem CID:	76797285
Reduced:	SO2N5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	512.172381
ΔH_f, kcal/mol:	71.45
Dipole, Da:	11.97
IP(EA), eV:	-8.94(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-hydroxy-3-methyl-5-[[[(2-methyl-4-oxopentan-3-yl)amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=NN=C2N(C3=CC=CC=C3S2)C)CC4=CC=CC=C4)C#N

DOS

IR

Vibrations