Geometry & MOs

Info

ID:

17031

PubChem CID:

482614

Reduced:

SO4N7H13C18 (1)

Stoich.:

AB4C7D13E18 (1)

Weight, g/mol:

423.074973

ΔHf, kcal/mol:

128.44

Dipole, Da:

4.0

IP(EA), eV:

 -8.9(-3.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(dihydroxyamino)phenyl]-5-methyl-4-[[4-(5-sulfanylidene-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=NN=C2C=CC(=C3N=NC(=S)O3)C=C2)C4=CC=C(C=C4)N(O)O

DOS

IR

Vibrations