Geometry & MOs

Info

ID:	88437
PubChem CID:	49903534
Reduced:	BrSN2O2H21C27 (1)
Stoich.:	ABC2D2E21F27 (1)
Weight, g/mol:	576.9517
ΔH_f, kcal/mol:	12.34
Dipole, Da:	8.68
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[3-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Br

DOS

IR

Vibrations