Geometry & MOs

Info

ID:	124674
PubChem CID:	50891980
Reduced:	NSCl2O4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	387.009884
ΔH_f, kcal/mol:	-163.68
Dipole, Da:	2.64
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CCCC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations