Geometry & MOs

Info

ID:	87426
PubChem CID:	49894572
Reduced:	INSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	522.101621
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	3.38
IP(EA), eV:	-8.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)I)OC

DOS

IR

Vibrations