Geometry & MOs

Info

ID:	37889
PubChem CID:	8025344
Reduced:	ClOSN4C20H27 (1)
Stoich.:	ABCD4E20F27 (1)
Weight, g/mol:	357.134049
ΔH_f, kcal/mol:	9.38
Dipole, Da:	6.93
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C)CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations