Geometry & MOs

Info

ID:	427727
PubChem CID:	135161730
Reduced:	O3F6H12C17 (1)
Stoich.:	A3B6C12D17 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-371.93
Dipole, Da:	5.74
IP(EA), eV:	-9.61(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-2-thia-6-azabicyclo[3.2.0]hept-3-en-7-one

Drug info:

PubChemData

Smile

C1COC(OC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)F)F)(F)F)F

DOS

IR

Vibrations