Geometry & MOs

Info

ID:	169103
PubChem CID:	75064707
Reduced:	ClNSC16H16 (2)
Stoich.:	ABCD16E16 (2)
Weight, g/mol:	359.063085
ΔH_f, kcal/mol:	98.01
Dipole, Da:	10.85
IP(EA), eV:	-7.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1-methylpurin-6-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2SC1=CC=CC=C3CCCC(=C3Cl)C=CC=CC4=[N+](C5=CC=CC=C5S4)CC.[Cl-]

DOS

IR

Vibrations