Geometry & MOs

Info

ID:	87900
PubChem CID:	49898484
Reduced:	BrNSO4H24C30 (1)
Stoich.:	ABCD4E24F30 (1)
Weight, g/mol:	559.04529
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	5.16
IP(EA), eV:	-8.82(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)OC

DOS

IR

Vibrations