Geometry & MOs

Info

ID:	228503
PubChem CID:	87565006
Reduced:	SP3N6O18C28H47 (1)
Stoich.:	AB3C6D18E28F47 (1)
Weight, g/mol:	251.057592
ΔH_f, kcal/mol:	-956.67
Dipole, Da:	4.96
IP(EA), eV:	-8.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,6-diazabicyclo[3.2.1]octane-2-carbonylamino) hydrogen sulfate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC=CN)C(C(=O)CCCCCN)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O.C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2

DOS

IR

Vibrations