Geometry & MOs

Info

ID:

87076

PubChem CID:

49891649

Reduced:

ClFSN2O4H20C26 (1)

Stoich.:

ABCD2E4F20G26 (1)

Weight, g/mol:

484.065984

ΔHf, kcal/mol:

-137.22

Dipole, Da:

3.39

IP(EA), eV:

 -8.96(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-5-[3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations