Geometry & MOs

Info

ID:	141899
PubChem CID:	52948597
Reduced:	SO2F3N5H16C18 (1)
Stoich.:	AB2C3D5E16F18 (1)
Weight, g/mol:	511.155276
ΔH_f, kcal/mol:	-165.48
Dipole, Da:	6.12
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C4=C(C=NC=C4)C(=N3)C(F)(F)F)C(=O)N

DOS

IR

Vibrations