Geometry & MOs

Info

ID:	313052
PubChem CID:	126611060
Reduced:	F3N3O4H20C21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	390.13036
ΔH_f, kcal/mol:	-249.21
Dipole, Da:	6.36
IP(EA), eV:	-8.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-N-(4-aminophenyl)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1N(C[C@H](O1)COC2=CC=C(C=C2)NC(=O)CO)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations