Geometry & MOs

Info

ID:	87634
PubChem CID:	49896118
Reduced:	BrNSO5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	425.16608
ΔH_f, kcal/mol:	-140.63
Dipole, Da:	1.97
IP(EA), eV:	-9.31(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-[(3-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)OCC(=O)OC)Br)/SC2=O

DOS

IR

Vibrations