Geometry & MOs

Info

ID:	57031
PubChem CID:	22395241
Reduced:	SO2N3C6H7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	593.080568
ΔH_f, kcal/mol:	17.41
Dipole, Da:	2.8
IP(EA), eV:	-9.0(-0.77)
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-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CO/N=C(\C=O)/C1=CSC(=N1)N

DOS

IR

Vibrations