Geometry & MOs

Info

ID:	62281
PubChem CID:	26718894
Reduced:	Cl2N2O3H8C13 (1)
Stoich.:	A2B2C3D8E13 (1)
Weight, g/mol:	457.239913
ΔH_f, kcal/mol:	-56.28
Dipole, Da:	3.33
IP(EA), eV:	-8.52(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5,6-tetramethyl-N-[(2R)-3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC(=N3)Cl)Cl

DOS

IR

Vibrations