Geometry & MOs

Info

ID:	156562
PubChem CID:	56371150
Reduced:	OF2N2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	429.114713
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	2.91
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(CNC(=O)NC2=CC=CC(=C2)C(F)F)C3=CC=CC=C3

DOS

IR

Vibrations