Geometry & MOs

Info

ID:	71232
PubChem CID:	48414488
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	411.138341
ΔH_f, kcal/mol:	0.86
Dipole, Da:	3.19
IP(EA), eV:	-8.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCN2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations