Geometry & MOs

Info

ID:	86535
PubChem CID:	49886802
Reduced:	BrNSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	490.119858
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	2.93
IP(EA), eV:	-8.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations