Geometry & MOs

Info

ID:	88330
PubChem CID:	49902956
Reduced:	NSO4H23C29 (1)
Stoich.:	ABC4D23E29 (1)
Weight, g/mol:	445.053942
ΔH_f, kcal/mol:	-53.31
Dipole, Da:	1.52
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations