Geometry & MOs

Info

ID:

186187

PubChem CID:

77400353

Reduced:

O3N4C21H26 (2)

Stoich.:

A3B4C21D26 (2)

Weight, g/mol:

446.106019

ΔHf, kcal/mol:

-174.51

Dipole, Da:

1.31

IP(EA), eV:

 -8.3(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-5-(5-amino-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-fluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C#CC2=CC3=C(C=C2)N=C(N3)C4CCCN4C(=O)C(C(C)C)NC(=O)OC)C)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations