Geometry & MOs

Info

ID:	158700
PubChem CID:	56465117
Reduced:	SO2N4C21H34 (1)
Stoich.:	AB2C4D21E34 (1)
Weight, g/mol:	486.266462
ΔH_f, kcal/mol:	-117.05
Dipole, Da:	4.42
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCC(CC2)NC(=O)NC3CCCCC3

DOS

IR

Vibrations