Geometry & MOs

Info

ID:	229127
PubChem CID:	87567017
Reduced:	SO3N5H27C31 (1)
Stoich.:	AB3C5D27E31 (1)
Weight, g/mol:	545.11421
ΔH_f, kcal/mol:	45.38
Dipole, Da:	7.67
IP(EA), eV:	-8.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-bromo-4-[2-(5-phenylpentanoylamino)ethyl]phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

C1CC(C1)NC2=C(C(=O)C2=O)N3CCC4=C3C=C(C=C4)NC(=O)C5=C(C=CS5)NCC6=CC=NC7=CC=CC=C67

DOS

IR

Vibrations