Geometry & MOs

Info

ID:	71246
PubChem CID:	48414514
Reduced:	S2N3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	8.35
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations