Geometry & MOs

Info

ID:	88230
PubChem CID:	49902447
Reduced:	ClSN2O4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	698.95759
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	7.17
IP(EA), eV:	-8.83(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations