Geometry & MOs

Info

ID:	243249
PubChem CID:	99217949
Reduced:	SO2F3N3H14C17 (1)
Stoich.:	AB2C3D3E14F17 (1)
Weight, g/mol:	399.086447
ΔH_f, kcal/mol:	-167.25
Dipole, Da:	3.98
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-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

CC1=CSC(=N1)N(CC(F)(F)F)C(=O)CN2C(=C)C3=CC=CC=C3C2=O

DOS

IR

Vibrations