Geometry & MOs

Info

ID:	302718
PubChem CID:	124393425
Reduced:	ClSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	486.161329
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	3.7
IP(EA), eV:	-8.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)N(C(=O)S3)CC(=O)NC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations