Geometry & MOs

Info

ID:	156244
PubChem CID:	56369805
Reduced:	ClSO3N5H20C22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	457.08624
ΔH_f, kcal/mol:	-9.19
Dipole, Da:	13.74
IP(EA), eV:	-9.07(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[2-[3-(2-methylpropanoylamino)piperidin-1-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)N3C=CN=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

DOS

IR

Vibrations