Geometry & MOs

Info

ID:	57020
PubChem CID:	22395229
Reduced:	OSN2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	593.080568
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	4.79
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 7-[[(2E)-2-[[(2-chloroacetyl)amino]-(1,3-thiazol-4-yl)methoxy]iminoacetyl]amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1=C(N=C(S1)N)CC=O

DOS

IR

Vibrations