Geometry & MOs

Info

ID:	184637
PubChem CID:	77186820
Reduced:	SN6O8C38H44 (1)
Stoich.:	AB6C8D38E44 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-211.51
Dipole, Da:	11.65
IP(EA), eV:	-8.45(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-oxo-1-(1,3-thiazolidin-2-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)C(CCCNC(=O)OC5=CC=C(N5C)S(=O)(=O)N)C6=CC(=C(C=C6)OC)OC

DOS

IR

Vibrations