Geometry & MOs

Info

ID:	229568
PubChem CID:	87568049
Reduced:	N2O6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	529.08291
ΔH_f, kcal/mol:	-136.44
Dipole, Da:	3.75
IP(EA), eV:	-8.84(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C/C(=C/2\C(=C(NO2)C(=O)O)C3=CC=C(C=C3)CN4CCOCC4)/C(=O)C=C1O

DOS

IR

Vibrations