Geometry & MOs

Info

ID:	378183
PubChem CID:	134224259
Reduced:	NPF5O6C15H16 (1)
Stoich.:	ABC5D6E15F16 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-478.6
Dipole, Da:	5.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969628
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-5-[(Z)-but-2-en-2-yl]-1-methyl-6-methylidene-2-azabicyclo[3.1.0]hexan-3-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)OC(C)C)N[P+](=O)OC1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations