Geometry & MOs

Info

ID:	82319
PubChem CID:	49855887
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	478.131091
ΔH_f, kcal/mol:	86.54
Dipole, Da:	5.1
IP(EA), eV:	-8.64(-0.12)
Spin(S_z, 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]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations