Geometry & MOs

Info

ID:	88080
PubChem CID:	49900669
Reduced:	BrNSO4H30C33 (1)
Stoich.:	ABCD4E30F33 (1)
Weight, g/mol:	470.093643
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	3.55
IP(EA), eV:	-8.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-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=CC5=CC=CC=C54

DOS

IR

Vibrations