Geometry & MOs

Info

ID:	149022
PubChem CID:	53788693
Reduced:	BrN2S2O3C25H33 (1)
Stoich.:	AB2C2D3E25F33 (1)
Weight, g/mol:	301.098394
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	5.89
IP(EA), eV:	-8.73(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxypropan-2-yl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCCN(C)S(=O)(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations