Geometry & MOs

Info

ID:	328005
PubChem CID:	126691687
Reduced:	SN2O2C10H18 (1)
Stoich.:	AB2C2D10E18 (1)
Weight, g/mol:	648.25351
ΔH_f, kcal/mol:	-99.95
Dipole, Da:	3.31
IP(EA), eV:	-8.37(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-3-[[2-(azetidin-1-yl)-5-(5-cyclohexyl-2-methoxyphenyl)pyrimidin-4-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(CSC(N1)C(C)N)COC(=O)C

DOS

IR

Vibrations