Geometry & MOs

Info

ID:	71523
PubChem CID:	48414992
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	25.34
Dipole, Da:	2.26
IP(EA), eV:	-8.79(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCC2=CC=CS2

DOS

IR

Vibrations