Geometry & MOs

Info

ID:	88198
PubChem CID:	49902263
Reduced:	BrNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	531.047413
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	2.41
IP(EA), eV:	-8.69(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-[(3-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations