Geometry & MOs

Info

ID:	328097
PubChem CID:	126692047
Reduced:	ClSH3C5 (1)
Stoich.:	ABC3D5 (1)
Weight, g/mol:	692.243339
ΔH_f, kcal/mol:	82.58
Dipole, Da:	1.52
IP(EA), eV:	-9.04(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(azetidin-1-yl)-4-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=C2C(C2=CS1)Cl

DOS

IR

Vibrations