Geometry & MOs

Info

ID:	301966
PubChem CID:	123105660
Reduced:	FSO2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	423.01399
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	5.62
IP(EA), eV:	-8.44(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(4-bromophenyl)methylsulfinyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCCS(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations