Geometry & MOs

Info

ID:

82151

PubChem CID:

49855692

Reduced:

SN3O6H17C22 (1)

Stoich.:

AB3C6D17E22 (1)

Weight, g/mol:

478.131091

ΔHf, kcal/mol:

-120.02

Dipole, Da:

6.63

IP(EA), eV:

 -9.43(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC(=CC=C4)C(=O)O

DOS

IR

Vibrations