Geometry & MOs

Info

ID:	71380
PubChem CID:	48414742
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	355.102434
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	4.25
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations