Geometry & MOs

Info

ID:	438017
PubChem CID:	135227530
Reduced:	SN4O8C16H18 (1)
Stoich.:	AB4C8D16E18 (1)
Weight, g/mol:	308.079055
ΔH_f, kcal/mol:	-217.52
Dipole, Da:	2.22
IP(EA), eV:	-9.88(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC(=O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations