Geometry & MOs

Info

ID:	86636
PubChem CID:	49887965
Reduced:	SCl2N2O4H18C24 (1)
Stoich.:	AB2C2D4E18F24 (1)
Weight, g/mol:	512.036434
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	6.88
IP(EA), eV:	-9.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations