Geometry & MOs

Info

ID:	162179
PubChem CID:	57393854
Reduced:	ClFN2O3C28H32 (1)
Stoich.:	ABC2D3E28F32 (1)
Weight, g/mol:	474.272987
ΔH_f, kcal/mol:	-136.83
Dipole, Da:	6.67
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(E,1R)-1-hydroxyhexadec-2-enyl]-3-(4-nitrobenzoyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=CC=C3)O)C4=CC=CC=C4.Cl

DOS

IR

Vibrations