Geometry & MOs

Info

ID:	229143
PubChem CID:	87567052
Reduced:	BrNPF2O4C22H27 (1)
Stoich.:	ABCD2E4F22G27 (1)
Weight, g/mol:	517.08291
ΔH_f, kcal/mol:	-307.84
Dipole, Da:	4.8
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-bromo-4-(4-phenylbutylcarbamoyl)phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=C(C=C1)C(=O)NCCCCC2=CC=CC=C2)Br)(F)F)OCC

DOS

IR

Vibrations