Geometry & MOs

Info

ID:	297187
PubChem CID:	117612200
Reduced:	SN4O7C12H20 (1)
Stoich.:	AB4C7D12E20 (1)
Weight, g/mol:	364.10527
ΔH_f, kcal/mol:	-190.98
Dipole, Da:	3.98
IP(EA), eV:	-9.46(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-2-[(2-amino-2-cyclopropylethoxy)carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

C1C[C@H](N2C[C@H]1N(C2=O)OS(=O)(=O)O)C(=O)NOCC3(CC3)CN

DOS

IR

Vibrations