Geometry & MOs

Info

ID:	229723
PubChem CID:	87568665
Reduced:	BrPF2N2O4C25H30 (1)
Stoich.:	ABC2D2E4F25G30 (1)
Weight, g/mol:	570.10946
ΔH_f, kcal/mol:	-302.43
Dipole, Da:	3.3
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-bromo-4-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=C(C=C1)CCNC(=O)CCCC2=CNC3=CC=CC=C32)Br)(F)F)OCC

DOS

IR

Vibrations