Geometry & MOs

Info

ID:	29715
PubChem CID:	836700
Reduced:	NSO5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	294.086764
ΔH_f, kcal/mol:	-161.6
Dipole, Da:	7.66
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl) 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations