Geometry & MOs

Info

ID:	71281
PubChem CID:	48414565
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	15.25
Dipole, Da:	6.37
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations