Geometry & MOs

Info

ID:	52134
PubChem CID:	12014923
Reduced:	F2O3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	474.110556
ΔH_f, kcal/mol:	-269.33
Dipole, Da:	2.96
IP(EA), eV:	-10.56(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-[2-oxo-2-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]sulfinylacetamide

Drug info:

PubChemData

Smile

CCC(CC(C)C)(C(C(=O)OCC)(F)F)O

DOS

IR

Vibrations