Geometry & MOs

Info

ID:	86548
PubChem CID:	49886990
Reduced:	BrNSO4H28C29 (1)
Stoich.:	ABCD4E28F29 (1)
Weight, g/mol:	558.01103
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	4.21
IP(EA), eV:	-8.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[3-iodo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=CC(=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations