Geometry & MOs

Info

ID:	36862
PubChem CID:	8013884
Reduced:	NSO4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	393.155178
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	4.14
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CS1)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations