Geometry & MOs

Info

ID:	88444
PubChem CID:	49903549
Reduced:	BrSN2O4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	494.06636
ΔH_f, kcal/mol:	-54.14
Dipole, Da:	2.91
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OCC4=CC=NC=C4

DOS

IR

Vibrations