Geometry & MOs

Info

ID:	227517
PubChem CID:	87561906
Reduced:	SO2N4C39H42 (1)
Stoich.:	AB2C4D39E42 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	11.1
Dipole, Da:	4.22
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-oxopiperidin-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCCN4CCN(CC4)C5=C(C=CC(=C5)C)C)S/C(=C/C6=CC=CC=C6)/C2=O

DOS

IR

Vibrations