Geometry & MOs

Info

ID:	71274
PubChem CID:	48414557
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	415.136591
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	3.15
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations