Geometry & MOs

Info

ID:	158498
PubChem CID:	56464091
Reduced:	OSN6C24H30 (1)
Stoich.:	ABC6D24E30 (1)
Weight, g/mol:	484.250812
ΔH_f, kcal/mol:	52.01
Dipole, Da:	3.01
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations