Geometry & MOs

Info

ID:	124709
PubChem CID:	50893544
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	470.91545
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	5.18
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(4-bromophenyl)sulfonyl-2-chloro-5-(trifluoromethyl)anilino]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC=C(C=C1)C(C)C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations