Geometry & MOs

Info

ID:	297729
PubChem CID:	117627370
Reduced:	SC4N4H12 (1)
Stoich.:	AB4C4D12 (1)
Weight, g/mol:	478.113262
ΔH_f, kcal/mol:	54.3
Dipole, Da:	2.53
IP(EA), eV:	-8.88(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl 4-[(2-chloroacetyl)amino]butyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCSC1NNNN1C

DOS

IR

Vibrations