Geometry & MOs

Info

ID:

87218

PubChem CID:

49893285

Reduced:

BrNSCl2O5H16C25 (1)

Stoich.:

ABCD2E5F16G25 (1)

Weight, g/mol:

634.95718

ΔHf, kcal/mol:

-123.82

Dipole, Da:

4.18

IP(EA), eV:

 -9.56(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations