Geometry & MOs

Info

ID:	193053
PubChem CID:	78337589
Reduced:	SN2O3C12H23 (1)
Stoich.:	AB2C3D12E23 (1)
Weight, g/mol:	345.047435
ΔH_f, kcal/mol:	-172.14
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754124
Charge, e:	-2

Chem-info

IUPAC name:

2-amino-9-[3,4-dihydroxy-5-(phosphonatomethyl)oxolan-2-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)CCCN1C(C(C(=O)NC1=O)[S+](C)C)O

DOS

IR

Vibrations