Geometry & MOs

Info

ID:

120703

PubChem CID:

50740733

Reduced:

ClOSN3H20C26 (1)

Stoich.:

ABCD3E20F26 (1)

Weight, g/mol:

498.172562

ΔHf, kcal/mol:

89.65

Dipole, Da:

9.51

IP(EA), eV:

 -8.89(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations