Geometry & MOs

Info

ID:	314239
PubChem CID:	126621001
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	138.990341
ΔH_f, kcal/mol:	-107.66
Dipole, Da:	4.69
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-N-sulfanylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2Br)O

DOS

IR

Vibrations