Geometry & MOs

Info

ID:	426554
PubChem CID:	135147024
Reduced:	BrSF2N3O3H12C17 (1)
Stoich.:	ABC2D3E3F12G17 (1)
Weight, g/mol:	544.223291
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	9.16
IP(EA), eV:	-9.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methyl-1-oxo-1-propylsulfanylpropan-2-yl)amino]phosphoryl]oxypropanoate

Drug info:

PubChemData

Smile

C=CCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Br)F

DOS

IR

Vibrations