Geometry & MOs

Info

ID:

298127

PubChem CID:

117647666

Reduced:

O4N8C39H46 (1)

Stoich.:

A4B8C39D46 (1)

Weight, g/mol:

679.294074

ΔHf, kcal/mol:

-88.58

Dipole, Da:

10.52

IP(EA), eV:

 -8.49(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-(2-aminoethyl)-5-[8-[3,5-bis(2-aminoethylcarbamoyl)phenyl]dibenzothiophen-2-yl]-1-N-propylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC(=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC(=CC(=C5)C(=O)NCCN)C(=O)NCCN)CC)C(=O)NCCN

DOS

IR

Vibrations