Geometry & MOs

Info

ID:	300213
PubChem CID:	121269862
Reduced:	NSF2O4H9C18 (1)
Stoich.:	ABC2D4E9F18 (1)
Weight, g/mol:	317.048662
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	1.78
IP(EA), eV:	-9.98(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(trifluoromethoxy)acetamide

Drug info:

PubChemData

Smile

C1C(=O)C2=C(S1(=O)=O)C=CC(=C2C#CCF)OC3=CC(=CC(=C3)C#N)F

DOS

IR

Vibrations