Geometry & MOs

Info

ID:

87810

PubChem CID:

49897646

Reduced:

SN2O3H13C14 (2)

Stoich.:

AB2C3D13E14 (2)

Weight, g/mol:

556.143485

ΔHf, kcal/mol:

-89.47

Dipole, Da:

4.92

IP(EA), eV:

 -8.89(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C)/C=C\4/C(=O)N(C(=O)S4)CC(=O)N5CCOCC5

DOS

IR

Vibrations