Geometry & MOs

Info

ID:

87300

PubChem CID:

49893854

Reduced:

SN2O7H22C23 (1)

Stoich.:

AB2C7D22E23 (1)

Weight, g/mol:

545.17329

ΔHf, kcal/mol:

-217.61

Dipole, Da:

6.39

IP(EA), eV:

 -8.9(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrol-3-yl]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)CC(=O)NC3=CC=CC=C3)OCC(=O)OC

DOS

IR

Vibrations