Geometry & MOs

Info

ID:	310060
PubChem CID:	126573426
Reduced:	N2O6C27H38 (1)
Stoich.:	A2B6C27D38 (1)
Weight, g/mol:	221.035794
ΔH_f, kcal/mol:	-175.08
Dipole, Da:	5.96
IP(EA), eV:	-9.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylsulfonyloxyethylidene)azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CC5=CN=C(C=C5)OC)OC)C

DOS

IR

Vibrations