Geometry & MOs

Info

ID:	43592
PubChem CID:	10321510
Reduced:	O2F3N4H17C24 (1)
Stoich.:	A2B3C4D17E24 (1)
Weight, g/mol:	450.118986
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	3.41
IP(EA), eV:	-9.49(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2C=NCC3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations