Geometry & MOs

Info

ID:	401802
PubChem CID:	135052672
Reduced:	FS4O7C8H9 (1)
Stoich.:	AB4C7D8E9 (1)
Weight, g/mol:	374.02998
ΔH_f, kcal/mol:	-300.21
Dipole, Da:	2.82
IP(EA), eV:	-9.21(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-4-[bromo(dimethyl)-lambda4-sulfanyl]-3-oxo-2-(phenylhydrazinylidene)butanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(S1)(OS(=O)(=O)F)SC)C(=O)OC

DOS

IR

Vibrations