Geometry & MOs

Info

ID:	228888
PubChem CID:	87566104
Reduced:	BrNPF2O4C23H29 (1)
Stoich.:	ABCD2E4F23G29 (1)
Weight, g/mol:	531.09856
ΔH_f, kcal/mol:	-311.95
Dipole, Da:	3.86
IP(EA), eV:	-9.48(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCC1=CC(=C(C=C1)C(F)(F)P(=O)(OCC)OCC)Br)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations