Geometry & MOs

Info

ID:	380795
PubChem CID:	134971357
Reduced:	BrSN2O2H11C16 (1)
Stoich.:	ABC2D2E11F16 (1)
Weight, g/mol:	252.059801
ΔH_f, kcal/mol:	22.74
Dipole, Da:	4.46
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3,3-difluoro-2-[(3S)-3-phenyloxiran-2-yl]-2H-pyran-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C#N)CBr

DOS

IR

Vibrations