Geometry & MOs

Info

ID:	229187
PubChem CID:	87567147
Reduced:	NSO5C12H25 (1)
Stoich.:	ABC5D12E25 (1)
Weight, g/mol:	411.98868
ΔH_f, kcal/mol:	-229.56
Dipole, Da:	12.47
IP(EA), eV:	-9.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-4-[diethoxyphosphoryl(difluoro)methyl]-1,3-dioxole

Drug info:

PubChemData

Smile

CCC[N+]1(CCC(=O)CC1)CCC.COS(=O)(=O)[O-]

DOS

IR

Vibrations