Geometry & MOs

Info

ID:	327293
PubChem CID:	126689431
Reduced:	SN4O6C27H30 (1)
Stoich.:	AB4C6D27E30 (1)
Weight, g/mol:	233.96917
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	2.6
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromoethynyl)-1-fluorocyclopropyl]methyl acetate

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2)C#CC3=CC=C(C=C3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations