Geometry & MOs

Info

ID:	86702
PubChem CID:	49888533
Reduced:	ClNSO5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	568.03037
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	5.62
IP(EA), eV:	-9.1(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations