Geometry & MOs

Info

ID:	410932
PubChem CID:	135083733
Reduced:	BF3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-199.45
Dipole, Da:	1.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.848891
Charge, e:	0

Chem-info

IUPAC name:

(NE,R)-N-[1-(furan-2-yl)ethylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

[B-](/C=C(/C)\C1=CC=CC=C1)(F)(F)F

DOS

IR

Vibrations