Geometry & MOs

Info

ID:

53770

PubChem CID:

14717896

Reduced:

O18C47H72 (1)

Stoich.:

A18B47C72 (1)

Weight, g/mol:

501.406106

ΔHf, kcal/mol:

-821.31

Dipole, Da:

5.83

IP(EA), eV:

 -10.11(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl-[3-(octadecanoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium;chloride

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C46C(O6)CC5C7=CC(=O)OC7)C)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)O)O

DOS

IR

Vibrations