Geometry & MOs

Info

ID:

88377

PubChem CID:

49903094

Reduced:

BrClINSO5H18C26 (1)

Stoich.:

ABCDEF5G18H26 (1)

Weight, g/mol:

596.964113

ΔHf, kcal/mol:

-97.2

Dipole, Da:

5.12

IP(EA), eV:

 -9.31(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations