Geometry & MOs

Info

ID:	149121
PubChem CID:	53788793
Reduced:	NF4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	173.05105
ΔH_f, kcal/mol:	-204.34
Dipole, Da:	7.08
IP(EA), eV:	-9.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-hydroxy-3-methyl-5-thia-1-azabicyclo[4.2.0]octan-8-one

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)CCC2=CC(=C(C=C2)C3=CN=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations