Geometry & MOs

Info

ID:	185976
PubChem CID:	77374732
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	55.8
Dipole, Da:	2.34
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 7-amino-3-(2-methyl-1,2-oxazolidin-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NN)C2=CC=NC=C2.Cl

DOS

IR

Vibrations