Geometry & MOs

Info

ID:	318424
PubChem CID:	126651340
Reduced:	ClNF6O6C23H24 (1)
Stoich.:	ABC6D6E23F24 (1)
Weight, g/mol:	298.89795
ΔH_f, kcal/mol:	-567.91
Dipole, Da:	5.99
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(2,2-dibromoethenyl)-2-methylazetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CCOC(F)(F)F)C1=C(C(=CNC1=O)OC)C2=C(C=CC(=C2)Cl)OCC(F)(F)F

DOS

IR

Vibrations