Geometry & MOs

Info

ID:	124779
PubChem CID:	50895659
Reduced:	SCl2N3O3C18H21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	429.056835
ΔH_f, kcal/mol:	-84.83
Dipole, Da:	3.1
IP(EA), eV:	-9.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2,5-dichlorophenyl)sulfonyl-2,6-diethylanilino)propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)N(CC(=O)NN)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations