Geometry & MOs

Info

ID:	438015
PubChem CID:	135227528
Reduced:	NH15C21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	336.110356
ΔH_f, kcal/mol:	215.06
Dipole, Da:	3.16
IP(EA), eV:	-7.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC#CC=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42

DOS

IR

Vibrations