Geometry & MOs

Info

ID:

17090

PubChem CID:

483693

Reduced:

N6O9C26H32 (1)

Stoich.:

A6B9C26D32 (1)

Weight, g/mol:

572.223077

ΔHf, kcal/mol:

-299.93

Dipole, Da:

13.0

IP(EA), eV:

 -9.01(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O.C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C(N=C(N=C32)N)N

DOS

IR

Vibrations