Geometry & MOs

Info

ID:	408128
PubChem CID:	135080888
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	216.056863
ΔH_f, kcal/mol:	2.39
Dipole, Da:	4.04
IP(EA), eV:	-9.94(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@H]([C@H]2CC#N)CC(=O)N

DOS

IR

Vibrations