Geometry & MOs

Info

ID:

120704

PubChem CID:

50740765

Reduced:

SO3N4H26C28 (1)

Stoich.:

AB3C4D26E28 (1)

Weight, g/mol:

526.203862

ΔHf, kcal/mol:

21.93

Dipole, Da:

8.46

IP(EA), eV:

 -8.04(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-4-[3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C\2/C(=NC(=O)S2)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=CC=C5O

DOS

IR

Vibrations