Geometry & MOs

Info

ID:	87465
PubChem CID:	49894803
Reduced:	NSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	486.161329
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	3.84
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations