Geometry & MOs

Info

ID:	34123
PubChem CID:	7889943
Reduced:	NSF3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	368.098391
ΔH_f, kcal/mol:	-317.67
Dipole, Da:	8.3
IP(EA), eV:	-9.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C[C@@]1(CCS(=O)(=O)C1)NC(=O)COC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations