Geometry & MOs

Info

ID:	342852
PubChem CID:	127266015
Reduced:	ClSN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	309.093185
ΔH_f, kcal/mol:	-78.66
Dipole, Da:	2.57
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(oxolan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=C(C=CN=C2)OCC

DOS

IR

Vibrations