Geometry & MOs

Info

ID:	438018
PubChem CID:	135227531
Reduced:	SN4O6C9H16 (1)
Stoich.:	AB4C6D9E16 (1)
Weight, g/mol:	364.141656
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	7.43
IP(EA), eV:	-9.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNN(C)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O

DOS

IR

Vibrations