Geometry & MOs

Info

ID:

120710

PubChem CID:

50740915

Reduced:

SO2N4H28C29 (1)

Stoich.:

AB2C4D28E29 (1)

Weight, g/mol:

501.015466

ΔHf, kcal/mol:

62.08

Dipole, Da:

6.7

IP(EA), eV:

 -8.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\2/C(=O)N=C(S2)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)N(C)C

DOS

IR

Vibrations