Geometry & MOs

Info

ID:

86826

PubChem CID:

49889546

Reduced:

SCl2N2O4H24C30 (1)

Stoich.:

AB2C2D4E24F30 (1)

Weight, g/mol:

598.120832

ΔHf, kcal/mol:

-73.58

Dipole, Da:

7.11

IP(EA), eV:

 -8.57(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-[4-(cyclohexylamino)-3-nitrophenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=CC=C(C=C3)OC)C)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations