Geometry & MOs

Info

ID:	87484
PubChem CID:	49894921
Reduced:	BrClNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	460.00924
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	4.97
IP(EA), eV:	-8.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)Cl)OC)/SC2=O

DOS

IR

Vibrations