Geometry & MOs

Info

ID:

82023

PubChem CID:

49855497

Reduced:

SN3O5C26H27 (1)

Stoich.:

AB3C5D26E27 (1)

Weight, g/mol:

534.193691

ΔHf, kcal/mol:

-110.25

Dipole, Da:

4.94

IP(EA), eV:

 -9.26(-1.43)

Spin(Sz, 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]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations