Geometry & MOs

Info

ID:	46798
PubChem CID:	10527419
Reduced:	NO2H29C31 (1)
Stoich.:	AB2C29D31 (1)
Weight, g/mol:	447.105794
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	2.96
IP(EA), eV:	-8.78(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R)-5-[6-[(3-chlorophenyl)carbamoylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[C@@H]([C@H](CC2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations