Geometry & MOs

Info

ID:	327928
PubChem CID:	126691404
Reduced:	NC15H29 (1)
Stoich.:	AB15C29 (1)
Weight, g/mol:	592.210896
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	1.59
IP(EA), eV:	-8.36(2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3-fluoroazetidin-1-yl)-5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1(CC[C@H](C1(C)C)C2(CCC2)N(C)C)C

DOS

IR

Vibrations