Geometry & MOs

Info

ID:

120709

PubChem CID:

50740914

Reduced:

BrSO2N4H25C28 (1)

Stoich.:

ABC2D4E25F28 (1)

Weight, g/mol:

496.193297

ΔHf, kcal/mol:

73.54

Dipole, Da:

6.11

IP(EA), eV:

 -8.23(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2CC(=NN2C3=NC(=O)/C(=C/C4=CC(=CC=C4)Br)/S3)C5=CC=C(C=C5)OC

DOS

IR

Vibrations