Geometry & MOs

Info

ID:	391092
PubChem CID:	135002757
Reduced:	ClF2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	331.060232
ΔH_f, kcal/mol:	-50.37
Dipole, Da:	1.73
IP(EA), eV:	-9.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-3-(propan-2-ylamino)-6-(trifluoromethyl)-4H-1lambda6,4-benzothiazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(F)F)CC2=CC=CC=C2Cl

DOS

IR

Vibrations