Geometry & MOs

Info

ID:

194103

PubChem CID:

78483840

Reduced:

N4O4C21H23 (1)

Stoich.:

A4B4C21D23 (1)

Weight, g/mol:

407.106553

ΔHf, kcal/mol:

-78.37

Dipole, Da:

4.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.208019

Charge, e:

 -1

Chem-info

IUPAC name:

4-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCCN(CC2)C3=C(C=C4C=C5C(=CC4=[NH+]3)OCO5)C#N

DOS

IR

Vibrations