Geometry & MOs

Info

ID:	88316
PubChem CID:	49902894
Reduced:	BrNSO6H20C25 (1)
Stoich.:	ABCD6E20F25 (1)
Weight, g/mol:	536.04054
ΔH_f, kcal/mol:	-152.97
Dipole, Da:	4.49
IP(EA), eV:	-8.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)Br)OCC(=O)OC

DOS

IR

Vibrations