Geometry & MOs

Info

ID:	87624
PubChem CID:	49895966
Reduced:	BrSN2O5H13C18 (1)
Stoich.:	ABC2D5E13F18 (1)
Weight, g/mol:	392.99932
ΔH_f, kcal/mol:	-67.6
Dipole, Da:	4.05
IP(EA), eV:	-9.56(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C(=CC(=C3)[N+](=O)[O-])Br)O)/SC2=O

DOS

IR

Vibrations