Geometry & MOs

Info

ID:	157434
PubChem CID:	56424137
Reduced:	NSF3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	420.166077
ΔH_f, kcal/mol:	-263.66
Dipole, Da:	8.88
IP(EA), eV:	-9.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=CC(=C1)CS(=O)(=O)C)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations