Geometry & MOs

Info

ID:

88026

PubChem CID:

49900024

Reduced:

BrNSCl2O4H20C29 (1)

Stoich.:

ABCD2E4F20G29 (1)

Weight, g/mol:

528.067734

ΔHf, kcal/mol:

-58.93

Dipole, Da:

5.26

IP(EA), eV:

 -8.91(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)Br)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations