Geometry & MOs

Info

ID:	229667
PubChem CID:	87568375
Reduced:	BrNPF2O5C20H23 (1)
Stoich.:	ABCD2E5F20G23 (1)
Weight, g/mol:	545.11421
ΔH_f, kcal/mol:	-315.08
Dipole, Da:	4.45
IP(EA), eV:	-9.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-bromo-4-[2-[ethyl(3-phenylpropanoyl)amino]ethyl]phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CCNOC(=O)C2=CC=CC=C2)Br)(F)F)O

DOS

IR

Vibrations