Geometry & MOs

Info

ID:	159570
PubChem CID:	57288470
Reduced:	OCl2F6H14C18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	321.043771
ΔH_f, kcal/mol:	-344.48
Dipole, Da:	4.07
IP(EA), eV:	-10.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloroethyl (2S,3R,5R)-3-(acetyloxymethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C(CCl)OC(CCl)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations