Geometry & MOs

Info

ID:	187437
PubChem CID:	77571716
Reduced:	NF2O5C30H41 (1)
Stoich.:	AB2C5D30E41 (1)
Weight, g/mol:	533.29528
ΔH_f, kcal/mol:	-310.72
Dipole, Da:	5.27
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-[(2,4-difluorophenyl)methyl-octylamino]-2-oxoethoxy]phenyl]methyl]-2-ethoxybutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCN(CC1=C(C=C(C=C1)F)F)C(=O)COC2=CC=C(C=C2)C(CC)C(C(=O)O)OCC

DOS

IR

Vibrations