Geometry & MOs

Info

ID:	322438
PubChem CID:	126670159
Reduced:	NO3C12H18 (2)
Stoich.:	AB3C12D18 (2)
Weight, g/mol:	397.124941
ΔH_f, kcal/mol:	-189.22
Dipole, Da:	7.3
IP(EA), eV:	-9.18(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-ethyl-5-hydroxy-1-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)C(=O)N5CCC5)OC)C

DOS

IR

Vibrations