Geometry & MOs

Info

ID:	156385
PubChem CID:	56370374
Reduced:	O2F3N4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	438.031969
ΔH_f, kcal/mol:	-175.91
Dipole, Da:	4.66
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dioxo-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1H-2lambda6,3-benzothiazin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations