Geometry & MOs

Info

ID:	269989
PubChem CID:	103621787
Reduced:	NO5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	394.86884
ΔH_f, kcal/mol:	-189.79
Dipole, Da:	2.16
IP(EA), eV:	-8.69(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromothiophen-2-yl)sulfonylamino]-3-chlorobenzoic acid

Drug info:

PubChemData

Smile

COCCOCC(=O)NC1=CC(=CC=C1)OCCOC

DOS

IR

Vibrations