Geometry & MOs

Info

ID:	402233
PubChem CID:	135055082
Reduced:	S2O6H32C33 (1)
Stoich.:	A2B6C32D33 (1)
Weight, g/mol:	257.126323
ΔH_f, kcal/mol:	-130.73
Dipole, Da:	3.53
IP(EA), eV:	-8.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-1-tert-butyl-2-(2-methoxy-2-oxoethyl)-4-oxoazetidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@@H]([C@@H]2CC(CC2=C)(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5)OC

DOS

IR

Vibrations