Geometry & MOs

Info

ID:

312906

PubChem CID:

126609646

Reduced:

N4O8C91H145 (2)

Stoich.:

A4B8C91D145 (2)

Weight, g/mol:

391.189592

ΔHf, kcal/mol:

-1053.92

Dipole, Da:

2.94

IP(EA), eV:

 -9.83(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-[1-oxo-1-(1-pyridin-2-ylindol-3-yl)octan-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CCCCCCCCC1C(CCC(C1CCCCCCCCN2C(=O)C=CC2=O)CCCCCCCCN3C(=O)C4=CC5=C(C=C4C3=O)C(=O)N(C5=O)CCCCCCCCC6C(CCC(C6CCCCCCCC)CCCCCC)CCCCCCCCN7C(=O)C8=CC9=C(C=C8C7=O)C(=O)N(C9=O)CCCCCCCCC1C(CCC(C1CCCCCCCC)CCCCCC)CCCCCCCCN1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)CCCCCCCCC1C(CCC(C1CCCCCCCC)CCCCCC)CCCCCCCCN1C(=O)C=CC1=O)CCCCCC

DOS

IR

Vibrations