Geometry & MOs

Info

ID:

87749

PubChem CID:

49897014

Reduced:

SN2O5C30H30 (1)

Stoich.:

AB2C5D30E30 (1)

Weight, g/mol:

514.115835

ΔHf, kcal/mol:

-131.1

Dipole, Da:

6.22

IP(EA), eV:

 -8.76(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations