Geometry & MOs

Info

ID:

87663

PubChem CID:

49896382

Reduced:

BrNS2O6H24C27 (1)

Stoich.:

ABC2D6E24F27 (1)

Weight, g/mol:

654.9387

ΔHf, kcal/mol:

-166.57

Dipole, Da:

6.35

IP(EA), eV:

 -8.8(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-iodo-6-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 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)C)Br)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations