Geometry & MOs

Info

ID:	88253
PubChem CID:	49902625
Reduced:	BrNSO4H20C25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	594.08241
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	6.2
IP(EA), eV:	-8.78(-1.15)
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]-2-methoxyphenoxy]-N-(2-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC4=CC=CC=C4

DOS

IR

Vibrations