Geometry & MOs

Info

ID:	171210
PubChem CID:	75344056
Reduced:	INS2O7H22C26 (1)
Stoich.:	ABC2D7E22F26 (1)
Weight, g/mol:	532.178041
ΔH_f, kcal/mol:	-168.52
Dipole, Da:	5.25
IP(EA), eV:	-8.89(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3)I)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations