Geometry & MOs

Info

ID:

54767

PubChem CID:

17389231

Reduced:

BrSCl2N3O4H26C33 (1)

Stoich.:

ABC2D3E4F26G33 (1)

Weight, g/mol:

620.17083

ΔHf, kcal/mol:

-45.0

Dipole, Da:

7.29

IP(EA), eV:

 -8.41(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[[4-(4-cyclohexylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]amino]phenyl]ethanone;hydrobromide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2C(=CSC2=NC3=C(C=CC(=C3)Cl)Cl)C4=CC(=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)OC.Br

DOS

IR

Vibrations