Geometry & MOs

Info

ID:	36809
PubChem CID:	8013046
Reduced:	OS2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	403.991247
ΔH_f, kcal/mol:	66.73
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=CC=C12)SCC(=O)[C@H](C#N)C3=NC(=CS3)C

DOS

IR

Vibrations