Geometry & MOs

Info

ID:	86669
PubChem CID:	49888392
Reduced:	ClNS2O5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	507.163493
ΔH_f, kcal/mol:	-105.94
Dipole, Da:	6.12
IP(EA), eV:	-9.01(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(1-adamantyl)-2-ethoxyphenyl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OC(=O)C4=CC=CS4

DOS

IR

Vibrations