Geometry & MOs

Info

ID:	158225
PubChem CID:	56463187
Reduced:	O3N4C28H34 (1)
Stoich.:	A3B4C28D34 (1)
Weight, g/mol:	422.144633
ΔH_f, kcal/mol:	-58.53
Dipole, Da:	8.24
IP(EA), eV:	-8.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-2-(thiophen-2-ylsulfonylamino)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)NC(CN4CCN(CC4)C)C5=CC=CC=C5

DOS

IR

Vibrations