Geometry & MOs

Info

ID:	66119
PubChem CID:	46493568
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	463.154133
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	4.4
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)C2=CN=C(C=C2)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations