Geometry & MOs

Info

ID:	124238
PubChem CID:	50876048
Reduced:	BrClSO3C8H8 (1)
Stoich.:	ABCD3E8F8 (1)
Weight, g/mol:	261.045964
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	4.93
IP(EA), eV:	-9.72(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-thiophen-2-ylethyl) 3-aminobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)S(=O)(=O)Cl)Br

DOS

IR

Vibrations