Geometry & MOs

Info

ID:	229512
PubChem CID:	87567898
Reduced:	FSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	501.13641
ΔH_f, kcal/mol:	-128.12
Dipole, Da:	2.8
IP(EA), eV:	-9.2(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoromethyl-[4-[3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1F)C2(C3CN2CCC3S)C4=CN(N=C4)CCC(=O)O

DOS

IR

Vibrations