Geometry & MOs

Info

ID:	171099
PubChem CID:	75328301
Reduced:	BrSN2O6H23C27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	482.98884
ΔH_f, kcal/mol:	-139.39
Dipole, Da:	4.38
IP(EA), eV:	-8.82(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methyl]-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations