Geometry & MOs

Info

ID:

47404

PubChem CID:

10532407

Reduced:

N8O8C31H50 (1)

Stoich.:

A8B8C31D50 (1)

Weight, g/mol:

664.338609

ΔHf, kcal/mol:

-353.43

Dipole, Da:

4.53

IP(EA), eV:

 -9.44(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2-methylphenyl)methyl]-1-[10-[1-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]decyl]piperazine-1,4-diium;tetrachloride

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)C[C@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations