Geometry & MOs

Info

ID:	157467
PubChem CID:	56430336
Reduced:	NCl2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	452.117271
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	3.47
IP(EA), eV:	-9.05(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 2-chloro-5-(dimethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations