Geometry & MOs

Info

ID:	178104
PubChem CID:	76277524
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	404.01941
ΔH_f, kcal/mol:	-161.6
Dipole, Da:	1.95
IP(EA), eV:	-9.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-N-(2-bromo-4-methylphenyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)COC(=O)C(C)N2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations