Geometry & MOs

Info

ID:	178106
PubChem CID:	76278001
Reduced:	Cl2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	7.39
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-methyl-1-oxo-1-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(C)C(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations