Geometry & MOs

Info

ID:

58173

PubChem CID:

24429260

Reduced:

SN2O4H26C27 (1)

Stoich.:

AB2C4D26E27 (1)

Weight, g/mol:

455.112662

ΔHf, kcal/mol:

-76.96

Dipole, Da:

7.06

IP(EA), eV:

 -9.06(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-cyano-N-(2-methoxyethyl)-2-[(5Z)-3-(2-methoxyethyl)-4-oxo-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations