Geometry & MOs

Info

ID:	49445
PubChem CID:	11533032
Reduced:	NO3C25H34 (1)
Stoich.:	AB3C25D34 (1)
Weight, g/mol:	476.217203
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751262
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5S)-5-[(2,6-diaminopurin-9-yl)methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CC(C2)CC(C3=CC=CC=C3OC)(C4=CC=CC=C4OC)O)C

DOS

IR

Vibrations