Geometry & MOs

Info

ID:	229189
PubChem CID:	87567149
Reduced:	PF2N2O8C32H39 (1)
Stoich.:	AB2C2D8E32F39 (1)
Weight, g/mol:	385.97303
ΔH_f, kcal/mol:	-454.14
Dipole, Da:	3.46
IP(EA), eV:	-8.08(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6-bromo-1,3-benzodioxol-5-yl)-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)C[C@@H](C(=O)NCCCOC2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3)(F)F)OCC

DOS

IR

Vibrations