Geometry & MOs

Info

ID:	150058
PubChem CID:	53789743
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	460.147149
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	2.35
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-[6-[[(2S)-2-amino-4-methylpentanoyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCOC(=O)NC3=CC=CC4=C3NCC4

DOS

IR

Vibrations