Geometry & MOs

Info

ID:	88252
PubChem CID:	49902622
Reduced:	BrNSO5H24C27 (1)
Stoich.:	ABCD5E24F27 (1)
Weight, g/mol:	509.02964
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	4.79
IP(EA), eV:	-8.73(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations