Geometry & MOs

Info

ID:	83873
PubChem CID:	49862078
Reduced:	F2N2O3C28H38 (1)
Stoich.:	A2B2C3D28E38 (1)
Weight, g/mol:	382.131742
ΔH_f, kcal/mol:	-229.97
Dipole, Da:	8.3
IP(EA), eV:	-9.49(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CCCCC2)C3=CC(=CC=C3)C(C)(C)CO)O

DOS

IR

Vibrations