Geometry & MOs

Info

ID:	242651
PubChem CID:	97857753
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	324.166077
ΔH_f, kcal/mol:	-63.34
Dipole, Da:	1.97
IP(EA), eV:	-9.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S,6R)-1-propanoyl-6-(trifluoromethyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NN1)NC(=O)[C@H](C)C2=CC=CS2

DOS

IR

Vibrations