Geometry & MOs

Info

ID:	314277
PubChem CID:	126621132
Reduced:	O2S2N8H24C25 (1)
Stoich.:	A2B2C8D24E25 (1)
Weight, g/mol:	428.132332
ΔH_f, kcal/mol:	104.36
Dipole, Da:	7.21
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-5-[(2S)-1-phenylpropan-2-yl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C=C[C@H](C1CC[C@@H]1C2=NN=C(S2)NC(=O)CC3=CC=CC=N3)C4=NN=C(S4)NC(=O)CC5=CC=CC=N5

DOS

IR

Vibrations