Geometry & MOs

Info

ID:	425662
PubChem CID:	135127226
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	453.175599
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	7.07
IP(EA), eV:	-9.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,5R)-5-(phenylmethoxyamino)-2-(2-sulfanyl-1,3-thiazolidine-3-carbonyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations