Geometry & MOs

Info

ID:	88284
PubChem CID:	49902740
Reduced:	BrClNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	529.03473
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	6.52
IP(EA), eV:	-8.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations