Geometry & MOs

Info

ID:

56793

PubChem CID:

22390303

Reduced:

SN5O5C24H29 (1)

Stoich.:

AB5C5D24E29 (1)

Weight, g/mol:

529.082282

ΔHf, kcal/mol:

-118.11

Dipole, Da:

5.95

IP(EA), eV:

 -8.18(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[1-(2-amino-2-oxoethyl)pyridin-1-ium-2-carbonyl]-5-chloroimidazo[5,1-b][1,3]thiazol-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C5=CN(CCC5)CCCN)C(=O)O)C(C)O

DOS

IR

Vibrations