Geometry & MOs

Info

ID:	135726
PubChem CID:	51921412
Reduced:	ClFN2O4C21H22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	336.068354
ΔH_f, kcal/mol:	-200.17
Dipole, Da:	5.5
IP(EA), eV:	-9.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](C(C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations