Geometry & MOs

Info

ID:	228917
PubChem CID:	87566230
Reduced:	NSO3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	528.164775
ΔH_f, kcal/mol:	-156.18
Dipole, Da:	0.73
IP(EA), eV:	-9.47(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1=O)S

DOS

IR

Vibrations