Geometry & MOs

Info

ID:

427297

PubChem CID:

135156709

Reduced:

SF3O5N7C36H40 (1)

Stoich.:

AB3C5D7E36F40 (1)

Weight, g/mol:

574.169123

ΔHf, kcal/mol:

-224.04

Dipole, Da:

5.59

IP(EA), eV:

 -8.27(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-[[(2S,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxy]-2-benzylpropanedioate

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)N(C2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)C5=CC=C(C=C5)N6CCN(CC6)CC7CCN(CC7)CC(=O)O)F)S(=O)O

DOS

IR

Vibrations