Geometry & MOs

Info

ID:	71574
PubChem CID:	48415062
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	411.138341
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	5.87
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations