Geometry & MOs

Info

ID:	224707
PubChem CID:	85346994
Reduced:	SO3C28H30 (1)
Stoich.:	AB3C28D30 (1)
Weight, g/mol:	446.223929
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	4.64
IP(EA), eV:	-8.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-5-yl]ethenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C2CCC3=C(C2OC(S1)C(C4=CC=CC=C4)O)C=CC=C3OCC5=CC=CC=C5)C

DOS

IR

Vibrations