Geometry & MOs

Info

ID:	71226
PubChem CID:	48414479
Reduced:	F2O2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	415.136591
ΔH_f, kcal/mol:	-108.91
Dipole, Da:	2.09
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations