Geometry & MOs

Info

ID:	338173
PubChem CID:	127258865
Reduced:	NSF3O3C7H12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	519.148042
ΔH_f, kcal/mol:	-288.82
Dipole, Da:	1.19
IP(EA), eV:	-9.47(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-amine;(E)-but-2-enedioic acid

Drug info:

PubChemData

Smile

CCSC(=O)[C@H](C)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations