Geometry & MOs

Info

ID:	124697
PubChem CID:	50892976
Reduced:	NSCl4O4H13C16 (1)
Stoich.:	ABC4D4E13F16 (1)
Weight, g/mol:	404.9482
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	7.88
IP(EA), eV:	-9.6(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-bromophenyl)sulfonyl-2,4-difluoroanilino)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations