Geometry & MOs

Info

ID:	229754
PubChem CID:	87568808
Reduced:	PSF2N2O9C28H31 (1)
Stoich.:	ABC2D2E9F28G31 (1)
Weight, g/mol:	411.04105
ΔH_f, kcal/mol:	-460.64
Dipole, Da:	8.65
IP(EA), eV:	-9.08(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]azetidine

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1OCCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations