Geometry & MOs

Info

ID:

87398

PubChem CID:

49894484

Reduced:

SN2O5C30H30 (1)

Stoich.:

AB2C5D30E30 (1)

Weight, g/mol:

545.162057

ΔHf, kcal/mol:

-141.69

Dipole, Da:

3.89

IP(EA), eV:

 -8.8(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)OCC(=O)NC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations