Geometry & MOs

Info

ID:	71575
PubChem CID:	48415063
Reduced:	ClSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	6.52
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations