Geometry & MOs

Info

ID:	87622
PubChem CID:	49895957
Reduced:	BrNSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	493.03473
ΔH_f, kcal/mol:	-96.77
Dipole, Da:	3.23
IP(EA), eV:	-8.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC)OC)/SC2=O

DOS

IR

Vibrations