Geometry & MOs

Info

ID:	150651
PubChem CID:	53790345
Reduced:	BrO4C21H35 (1)
Stoich.:	AB4C21D35 (1)
Weight, g/mol:	622.601244
ΔH_f, kcal/mol:	-216.39
Dipole, Da:	3.92
IP(EA), eV:	-9.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetradecyl 2-methyl-2-[1-(octadecanoylamino)propylamino]propanoate

Drug info:

PubChemData

Smile

CCCCCC(C=C[C@H]1[C@@H](C[C@H]([C@@H]1CC=CCCC(C)C(=O)O)Br)O)O

DOS

IR

Vibrations