Geometry & MOs

Info

ID:	151316
PubChem CID:	53801053
Reduced:	NPSF2O5C16H16 (1)
Stoich.:	ABCD2E5F16G16 (1)
Weight, g/mol:	711.654088
ΔH_f, kcal/mol:	-318.69
Dipole, Da:	3.47
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(docosoxycarbonylamino)-2-ethyl-2-(2-fluorooctyl)undecanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=CC(=C1)C(F)(F)P(=O)(O)O)C=CC2=CC=CC=C2

DOS

IR

Vibrations