Geometry & MOs

Info

ID:	180954
PubChem CID:	76710906
Reduced:	ClFON5C20H21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	757.497627
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	2.82
IP(EA), eV:	-8.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-[3-oxo-3-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]propyl]tricosanedioic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CN2C=C3C=CC=NC3=N2)C4=C(C=C(C(=C4)C)Cl)F

DOS

IR

Vibrations