Geometry & MOs

Info

ID:	314950
PubChem CID:	126624004
Reduced:	FS2O5N6H39C42 (1)
Stoich.:	AB2C5D6E39F42 (1)
Weight, g/mol:	402.075818
ΔH_f, kcal/mol:	-92.12
Dipole, Da:	4.17
IP(EA), eV:	-8.45(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(C(=O)N3CC4=CC=C(C=C4)OC)CS(=O)(=O)N5CCCCCC5C(=O)NC6=CC=CC(=C6F)C7=CSC8=CC=CC=C87

DOS

IR

Vibrations