Geometry & MOs

Info

ID:	328052
PubChem CID:	126691881
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	626.212788
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	3.82
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[[2-(azetidin-1-yl)-5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)pyrimidin-4-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCCCC1=C(C=CC(=C1Br)C)N(C)C=O

DOS

IR

Vibrations