Geometry & MOs

Info

ID:

214969

PubChem CID:

85083934

Reduced:

O3N5C40H57 (1)

Stoich.:

A3B5C40D57 (1)

Weight, g/mol:

656.105896

ΔHf, kcal/mol:

-68.32

Dipole, Da:

7.1

IP(EA), eV:

 -8.23(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-3-dimethoxyphosphorylprop-2-enoyl]amino]-3-[2-(4,6-diamino-1,5-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CCCCOCCCCN1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(C=CN=C5)OC

DOS

IR

Vibrations