Geometry & MOs

Info

ID:	87546
PubChem CID:	49895297
Reduced:	BrSN2O4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	407.01497
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	4.99
IP(EA), eV:	-9.47(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)Br)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations