Geometry & MOs

Info

ID:

327048

PubChem CID:

126688918

Reduced:

O18C49H74 (1)

Stoich.:

A18B49C74 (1)

Weight, g/mol:

495.248169

ΔHf, kcal/mol:

-851.57

Dipole, Da:

3.17

IP(EA), eV:

 -9.52(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations