Geometry & MOs

Info

ID:

86827

PubChem CID:

49889547

Reduced:

SCl2N4O4H28C29 (1)

Stoich.:

AB2C4D4E28F29 (1)

Weight, g/mol:

514.052084

ΔHf, kcal/mol:

-58.14

Dipole, Da:

13.07

IP(EA), eV:

 -8.55(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCCC3)[N+](=O)[O-])C)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations