Geometry & MOs

Info

ID:	43463
PubChem CID:	10321335
Reduced:	O5C11H11 (2)
Stoich.:	A5B11C11 (2)
Weight, g/mol:	446.178215
ΔH_f, kcal/mol:	-352.15
Dipole, Da:	2.55
IP(EA), eV:	-8.97(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-3-methyl-2-oxoimidazolidin-1-yl]hexylphosphonic acid

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=CC2=O)C4=CC=CC=C4

DOS

IR

Vibrations