Geometry & MOs

Info

ID:	82148
PubChem CID:	49855689
Reduced:	ON4H16C18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	507.146407
ΔH_f, kcal/mol:	86.33
Dipole, Da:	6.42
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-[2-(4-tert-butylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC=C(C=C2)OC)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations