Geometry & MOs

Info

ID:	229136
PubChem CID:	87567035
Reduced:	NH5C8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	557.19901
ΔH_f, kcal/mol:	145.79
Dipole, Da:	3.76
IP(EA), eV:	-8.74(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yloxy-[difluoro-[4-[3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]phenyl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

C1=CC2=CC3=C4C=CC=CC4=NC(=N)C3=C2C=C1

DOS

IR

Vibrations