Geometry & MOs

Info

ID:

124909

PubChem CID:

50902644

Reduced:

N7O7C29H41 (1)

Stoich.:

A7B7C29D41 (1)

Weight, g/mol:

457.196134

ΔHf, kcal/mol:

-285.91

Dipole, Da:

7.65

IP(EA), eV:

 -9.36(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CO)N

DOS

IR

Vibrations