Geometry & MOs

Info

ID:	39641
PubChem CID:	8141734
Reduced:	SN4O4C19H30 (1)
Stoich.:	AB4C4D19E30 (1)
Weight, g/mol:	410.221045
ΔH_f, kcal/mol:	-159.52
Dipole, Da:	8.23
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[4-(4-chloro-2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations