Geometry & MOs

Info

ID:

51846

PubChem CID:

12014600

Reduced:

O2C23H38 (4)

Stoich.:

A2B23C38 (4)

Weight, g/mol:

496.164774

ΔHf, kcal/mol:

-525.61

Dipole, Da:

3.53

IP(EA), eV:

 -7.8(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[[2-[(E)-(3-oxoquinoxalin-2-ylidene)-phenylmethyl]hydrazinyl]-phenylmethylidene]quinoxalin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@@H]1C2=CC(=C(C=C2O)OC[C@@H](C)CC)[C@@H](C3=CC(=C(C=C3O)OC[C@@H](C)CC)[C@@H](C4=CC(=C(C=C4O)OC[C@@H](C)CC)[C@@H](C5=CC1=C(C=C5O)OC[C@@H](C)CC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC

DOS

IR

Vibrations