Geometry & MOs

Info

ID:	155264
PubChem CID:	56324723
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	2.49
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(cyclopropylmethylsulfamoyl)benzoyl]piperidin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations