Geometry & MOs

Info

ID:	229440
PubChem CID:	87567663
Reduced:	PSF2N3O6C36H44 (1)
Stoich.:	ABC2D3E6F36G44 (1)
Weight, g/mol:	365.98679
ΔH_f, kcal/mol:	-354.61
Dipole, Da:	5.21
IP(EA), eV:	-8.97(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C)(F)F)O

DOS

IR

Vibrations