Geometry & MOs

Info

ID:	88095
PubChem CID:	49900944
Reduced:	ClNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	560.04054
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	1.96
IP(EA), eV:	-9.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations