Geometry & MOs

Info

ID:

80162

PubChem CID:

49833312

Reduced:

N4O5C36H44 (1)

Stoich.:

A4B5C36D44 (1)

Weight, g/mol:

519.110707

ΔHf, kcal/mol:

-145.12

Dipole, Da:

9.86

IP(EA), eV:

 -9.16(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)N(C(=N1)C)C2=NC=C(C=N2)OCC)CC3=CC(=C(C(=C3)CCC)OC(C4=CC=CC=C4)C(=O)O)CCC

DOS

IR

Vibrations