Geometry & MOs

Info

ID:

230768

PubChem CID:

87571960

Reduced:

N5O14C49H57 (1)

Stoich.:

A5B14C49D57 (1)

Weight, g/mol:

513.266128

ΔHf, kcal/mol:

-442.61

Dipole, Da:

12.72

IP(EA), eV:

 -8.63(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

naphthalene;1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-2-[piperidin-2-yl(sulfonyl)methoxy]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)O)C2C3C(COC3=O)C(C4=C2C=C5C(=C4)COO5)NC(=O)CNCCCN(CCCCN(CCCNC(=O)OCC6=CC=CC=C6)C(=O)O)C(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations