Geometry & MOs

Info

ID:	87684
PubChem CID:	49896506
Reduced:	ClINSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	460.00924
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	1.26
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC4=CC=CC=C4Cl)OC)/SC2=O

DOS

IR

Vibrations