Geometry & MOs

Info

ID:	226472
PubChem CID:	87457449
Reduced:	BrSF3N3O4H13C17 (1)
Stoich.:	ABC3D3E4F13G17 (1)
Weight, g/mol:	206.06128
ΔH_f, kcal/mol:	-259.73
Dipole, Da:	10.3
IP(EA), eV:	-10.26(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethoxy-2-hydroxy-4-sulfanylidenebutanoate

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=O)N1CC2=CC(=NC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations