Geometry & MOs

Info

ID:	391557
PubChem CID:	135006490
Reduced:	NSO2F3C10H14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	287.092184
ΔH_f, kcal/mol:	-214.87
Dipole, Da:	2.25
IP(EA), eV:	-8.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-N-(2-methylphenyl)-4-phenylbut-3-yn-2-imine

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@H](C1=CC=CO1)C(F)(F)F

DOS

IR

Vibrations