Geometry & MOs

Info

ID:

441387

PubChem CID:

135234463

Reduced:

N6O6C41H68 (1)

Stoich.:

A6B6C41D68 (1)

Weight, g/mol:

973.675532

ΔHf, kcal/mol:

-233.73

Dipole, Da:

8.72

IP(EA), eV:

 -8.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[7-[5-acetyl-3-[10-[5-acetyl-2-(methylaminomethyl)-3-pentoxyphenoxy]decoxy]-2-[3-(methylamino)propyl]phenoxy]heptoxy]-5-ethoxy-4-[3-(methylamino)propyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC(=C1)OCCCNCCNCC2=CC(=C(C=C2)OCCCNCCNCCCC(CCCNC)C(=O)C)C(=O)C)OCCCNC

DOS

IR

Vibrations