Geometry & MOs

Info

ID:	86746
PubChem CID:	49888838
Reduced:	SBr2N2O4H20C26 (1)
Stoich.:	AB2C2D4E20F26 (1)
Weight, g/mol:	557.00632
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	3.78
IP(EA), eV:	-8.74(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations