Geometry & MOs

Info

ID:

47340

PubChem CID:

10531668

Reduced:

Cl2N3O5C31H37 (1)

Stoich.:

A2B3C5D31E37 (1)

Weight, g/mol:

602.111435

ΔHf, kcal/mol:

-214.19

Dipole, Da:

7.89

IP(EA), eV:

 -9.2(-0.92)

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-(methoxymethoxyimino)acetyl]amino]-3-[[5-(carbamoylamino)imidazo[1,2-a]pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CN([C@H](CC1=CC=CC=C1)C(=O)O)C(=O)CC[C@H](C(=O)N2CCC3(CCCC3)CC2)NC(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations