Geometry & MOs

Info

ID:

44878

PubChem CID:

10506299

Reduced:

N2O9C26H42 (1)

Stoich.:

A2B9C26D42 (1)

Weight, g/mol:

526.218467

ΔHf, kcal/mol:

-425.94

Dipole, Da:

0.88

IP(EA), eV:

 -9.86(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-3-[[4-[[2-methyl-4-oxo-2-[(E)-pent-1-enyl]-1,3-thiazolidin-3-yl]amino]phthalazin-1-yl]amino]-2-[(E)-pent-1-enyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC[C@H](CC(=O)NC1=CC(=O)[C@H]2CCCN2C(=O)O1)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O

DOS

IR

Vibrations