Geometry & MOs

Info

ID:	229108
PubChem CID:	87566965
Reduced:	FNSO3C23H24 (1)
Stoich.:	ABCD3E23F24 (1)
Weight, g/mol:	413.02031
ΔH_f, kcal/mol:	-86.41
Dipole, Da:	1.95
IP(EA), eV:	-9.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=COC=C2)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations