Geometry & MOs

Info

ID:	49490
PubChem CID:	11533107
Reduced:	SN2O6H24C25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	480.228517
ΔH_f, kcal/mol:	-164.97
Dipole, Da:	6.51
IP(EA), eV:	-9.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-[3-(4-fluorophenyl)-2-oxo-1-propan-2-ylimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H]2C3=CC=CO3)C(=O)N4[C@H](COC4=O)C5=CC=CC=C5

DOS

IR

Vibrations