Geometry & MOs

Info

ID:	56791
PubChem CID:	22390231
Reduced:	NOSC5H5 (1)
Stoich.:	ABCD5E5 (1)
Weight, g/mol:	538.127068
ΔH_f, kcal/mol:	5.48
Dipole, Da:	4.34
IP(EA), eV:	-9.33(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-[1-(2-amino-2-oxoethyl)pyridin-1-ium-2-carbonyl]-5-carbamoylimidazo[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

CC1=C(SN=C1)C=O

DOS

IR

Vibrations