Geometry & MOs

Info

ID:

84492

PubChem CID:

49866825

Reduced:

O4N5C17H17 (1)

Stoich.:

A4B5C17D17 (1)

Weight, g/mol:

549.122615

ΔHf, kcal/mol:

-73.08

Dipole, Da:

5.69

IP(EA), eV:

 -9.04(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-2-oxoethyl]-5-(pyridin-1-ium-1-ylmethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=N2)[C@H](CC3=CN=CN3)N)CC(=O)O)O

DOS

IR

Vibrations