Geometry & MOs

Info

ID:	10992
PubChem CID:	109773
Reduced:	N5O6C48H95 (1)
Stoich.:	A5B6C48D95 (1)
Weight, g/mol:	837.728236
ΔH_f, kcal/mol:	-455.83
Dipole, Da:	9.43
IP(EA), eV:	-9.16(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;N-[2-[2-[bis(3-amino-3-oxopropyl)amino]ethyl-octadecanoylamino]ethyl]octadecanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations