Geometry & MOs

Info

ID:	10991
PubChem CID:	109772
Reduced:	O4N5C46H91 (1)
Stoich.:	A4B5C46D91 (1)
Weight, g/mol:	777.707106
ΔH_f, kcal/mol:	-353.94
Dipole, Da:	6.9
IP(EA), eV:	-9.49(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-amino-3-oxopropyl)-[2-[(3-amino-3-oxopropyl)-octadecanoylamino]ethyl]amino]ethyl]octadecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC(=O)N)CCN(CCC(=O)N)C(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations