Geometry & MOs

Info

ID:

54457

PubChem CID:

17388706

Reduced:

NOSH17C25 (1)

Stoich.:

ABCD17E25 (1)

Weight, g/mol:

554.158368

ΔHf, kcal/mol:

86.63

Dipole, Da:

6.89

IP(EA), eV:

 -8.11(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(Z)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[2-[2-[2-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-yl]oxyacetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=C/C(=C/4\C=CC=CC4=O)/N3)/C=C/C5=CC=CS5

DOS

IR

Vibrations