Geometry & MOs

Info

ID:

82150

PubChem CID:

49855691

Reduced:

SN3O4H27C30 (1)

Stoich.:

AB3C4D27E30 (1)

Weight, g/mol:

451.083806

ΔHf, kcal/mol:

-26.02

Dipole, Da:

9.05

IP(EA), eV:

 -8.87(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3E)-3-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C(=O)N2C4=NN=C(S4)C5=CC=CC=C5

DOS

IR

Vibrations