Geometry & MOs

Info

ID:	243250
PubChem CID:	99217950
Reduced:	SF3N3O3H16C17 (1)
Stoich.:	AB3C3D3E16F17 (1)
Weight, g/mol:	399.086447
ΔH_f, kcal/mol:	-220.39
Dipole, Da:	5.62
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)N(CC(F)(F)F)C3=NC(=CS3)C

DOS

IR

Vibrations