Geometry & MOs

Info

ID:	71227
PubChem CID:	48414480
Reduced:	FSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	6.18
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations