Geometry & MOs

Info

ID:	79588
PubChem CID:	49829632
Reduced:	N5O5C20H24 (1)
Stoich.:	A5B5C20D24 (1)
Weight, g/mol:	414.195486
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	8.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.933086
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=[NH+]1)NC(=O)CC2=CC(=C(C=C2OC)NC(=O)C)OC)N)C#N

DOS

IR

Vibrations