Geometry & MOs

Info

ID:	299870
PubChem CID:	117765166
Reduced:	O2F7C33H33 (1)
Stoich.:	A2B7C33D33 (1)
Weight, g/mol:	318.11619
ΔH_f, kcal/mol:	-428.17
Dipole, Da:	6.37
IP(EA), eV:	-9.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-7-oxo-6-sulfanyloxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)C4CCC(CC4)C(OC5=CC=C(C=C5)OC(F)(F)F)(F)F)F)F

DOS

IR

Vibrations