Geometry & MOs

Info

ID:	218792
PubChem CID:	85089977
Reduced:	F3N3O3H26C28 (1)
Stoich.:	A3B3C3D26E28 (1)
Weight, g/mol:	509.150823
ΔH_f, kcal/mol:	-203.34
Dipole, Da:	4.65
IP(EA), eV:	-9.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-benzyl-4-(2-methylsulfonyloxyethyl)-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1C(CC2=C(C=C(C=C2)F)N(C1=O)C)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations