Geometry & MOs

Info

ID:	391821
PubChem CID:	135009891
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	711.232913
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	7.88
IP(EA), eV:	-9.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-3,4-dibenzoyloxy-2,4-dimethyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)[C@]34C[C@H]3C[C@@H](C4=O)O

DOS

IR

Vibrations