Geometry & MOs

Info

ID:	154013
PubChem CID:	56313373
Reduced:	F3N3O3C23H26 (1)
Stoich.:	A3B3C3D23E26 (1)
Weight, g/mol:	479.149047
ΔH_f, kcal/mol:	-245.55
Dipole, Da:	2.71
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)CNC(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations