Geometry & MOs

Info

ID:	195474
PubChem CID:	78691045
Reduced:	SN3O5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	353.234137
ΔH_f, kcal/mol:	-180.52
Dipole, Da:	4.56
IP(EA), eV:	-10.06(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)CCC(C)NC(=O)COC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21

DOS

IR

Vibrations