Geometry & MOs

Info

ID:	71675
PubChem CID:	48415186
Reduced:	OCl2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	57.91
Dipole, Da:	5.0
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazine-1-carbonyl)-N-cyclopentyl-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N2CCN(CC2)CCC#C)Cl)CC3=CC=CC=C3Cl

DOS

IR

Vibrations