Geometry & MOs

Info

ID:	339547
PubChem CID:	127261537
Reduced:	O5N6C18H20 (1)
Stoich.:	A5B6C18D20 (1)
Weight, g/mol:	351.154269
ΔH_f, kcal/mol:	-135.88
Dipole, Da:	10.08
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(2R)-oxan-2-yl]amino]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC2=NC(=O)C3=C(N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O

DOS

IR

Vibrations