Geometry & MOs

Info

ID:	87231
PubChem CID:	49893388
Reduced:	ClSN2O3H21C24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	495.90508
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	7.14
IP(EA), eV:	-8.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2OC)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations