Geometry & MOs

Info

ID:	403843
PubChem CID:	135062098
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	395.176644
ΔH_f, kcal/mol:	-49.63
Dipole, Da:	3.34
IP(EA), eV:	-9.02(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[3-(benzenesulfonyl)-2-hydroxybut-3-enyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(=O)C1=CC=CC2=C1/C(=N/OC)/CCC2C

DOS

IR

Vibrations