Geometry & MOs

Info

ID:	43108
PubChem CID:	10318583
Reduced:	SO4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-108.81
Dipole, Da:	5.49
IP(EA), eV:	-9.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1(C(=O)C(=C(O1)C2=CC=CC=C2)S(=O)(=O)C)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations