Geometry & MOs

Info

ID:	171171
PubChem CID:	75338662
Reduced:	BrSN2O7H23C24 (1)
Stoich.:	ABC2D7E23F24 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-225.16
Dipole, Da:	3.43
IP(EA), eV:	-8.83(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OCC)Br)OCC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations