Geometry & MOs

Info

ID:	395791
PubChem CID:	135026545
Reduced:	F3N4C34H41 (1)
Stoich.:	A3B4C34D41 (1)
Weight, g/mol:	478.150679
ΔH_f, kcal/mol:	-106.82
Dipole, Da:	7.81
IP(EA), eV:	-8.64(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 1-O,4-O-diethyl (4R,5S)-5-(2-chlorocyclohexen-1-yl)-2-oxoimidazolidine-1,3,4-tricarboxylate

Drug info:

PubChemData

Smile

CCCCCCC[C@@H]1[C@@H]2CCN([C@@H]2C3=C(N1)C=CC(=C3)C(F)(F)F)C(=NCC4=CC=CC=C4)NCC5=CC=CC=C5

DOS

IR

Vibrations