Geometry & MOs

Info

ID:	181890
PubChem CID:	76810718
Reduced:	FPSN4O7C18H26 (1)
Stoich.:	ABCD4E7F18G26 (1)
Weight, g/mol:	522.146184
ΔH_f, kcal/mol:	-343.77
Dipole, Da:	4.27
IP(EA), eV:	-9.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[dimethylamino-[[2-(fluoromethyl)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SCCOP(=O)(N(C)C)OCC1C(C(C(O1)N2C=CC(=NC2=O)NC)(C#C)F)O

DOS

IR

Vibrations