Geometry & MOs

Info

ID:	18700
PubChem CID:	546537
Reduced:	SN2O3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	-146.16
Dipole, Da:	1.92
IP(EA), eV:	-9.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,3-dimethyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(N(C2C(S1)NC2=O)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations