Geometry & MOs

Info

ID:

88057

PubChem CID:

49900338

Reduced:

BrNSCl3O5H17C26 (1)

Stoich.:

ABCD3E5F17G26 (1)

Weight, g/mol:

571.098699

ΔHf, kcal/mol:

-132.2

Dipole, Da:

4.5

IP(EA), eV:

 -9.47(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] adamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)Br)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations