Geometry & MOs

Info

ID:	171063
PubChem CID:	75321136
Reduced:	BrClSN2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	500.176979
ΔH_f, kcal/mol:	-90.0
Dipole, Da:	5.27
IP(EA), eV:	-8.83(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)NC4=CC=C(C=C4)Cl)Br)SC2=O

DOS

IR

Vibrations