Geometry & MOs

Info

ID:	144167
PubChem CID:	53325325
Reduced:	SF3N3O5C28H34 (1)
Stoich.:	AB3C3D5E28F34 (1)
Weight, g/mol:	654.504384
ΔH_f, kcal/mol:	-329.48
Dipole, Da:	4.91
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-amino-3-[3-[3-[[(3R)-6-amino-3-(hexadecanoylamino)hexanoyl]amino]propanoylamino]propanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C)OC1=CC=C(C=C1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N

DOS

IR

Vibrations