Geometry & MOs

Info

ID:	251115
PubChem CID:	103101588
Reduced:	SN3O5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	353.984398
ΔH_f, kcal/mol:	-204.63
Dipole, Da:	6.08
IP(EA), eV:	-9.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2,4-dichlorobenzoic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=C1C(=O)O)S(=O)(=O)N(CC)CC(=O)N

DOS

IR

Vibrations