Geometry & MOs

Info

ID:

390513

PubChem CID:

134999513

Reduced:

S3O5N7C19H21 (1)

Stoich.:

A3B5C7D19E21 (1)

Weight, g/mol:

524.084455

ΔHf, kcal/mol:

-43.73

Dipole, Da:

4.31

IP(EA), eV:

 -8.31(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[methyl-(3-methyl-1,3-thiazol-3-ium-2-yl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1=C(SC=C1)N(C)CC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]

DOS

IR

Vibrations