Geometry & MOs

Info

ID:	171752
PubChem CID:	75423294
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	337.095949
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	5.17
IP(EA), eV:	-9.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)(CCO)CNC(=O)NC1=CC=NC=C1

DOS

IR

Vibrations