Geometry & MOs

Info

ID:

214981

PubChem CID:

85083951

Reduced:

BFFeO2N6C34H50 (1)

Stoich.:

ABCD2E6F34G50 (1)

Weight, g/mol:

660.257748

ΔHf, kcal/mol:

-109.36

Dipole, Da:

10.6

IP(EA), eV:

 -8.28(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6-[3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Drug info:

PubChemData

Smile

[B-](N1C(=CC(=N1)C(C)C)C(C)C)(N2C(=CC(=N2)C(C)C)C(C)C)N3C(=CC(=N3)C(C)C)C(C)C.C1=CC(=CC=C1C(=O)O)F.[Fe]

DOS

IR

Vibrations