Geometry & MOs

Info

ID:	152996
PubChem CID:	56312104
Reduced:	ClSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	4.15
IP(EA), eV:	-7.94(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylsulfamoyl]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=CC(=C(C=C3)Cl)C#N

DOS

IR

Vibrations