Geometry & MOs

Info

ID:	230221
PubChem CID:	87570452
Reduced:	N2S2F3O6H21C24 (1)
Stoich.:	A2B2C3D6E21F24 (1)
Weight, g/mol:	400.120526
ΔH_f, kcal/mol:	-295.91
Dipole, Da:	13.44
IP(EA), eV:	-9.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl]-2-oxopyridin-1-yl]butanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)C2=CC=CC=C2C(C(=O)NC3=NC(=C(S3)F)CC(=O)O)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations