Geometry & MOs

Info

ID:	71234
PubChem CID:	48414493
Reduced:	SO2F3N3C19H20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	377.096476
ΔH_f, kcal/mol:	-172.72
Dipole, Da:	3.69
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-6-chloro-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations