Geometry & MOs

Info

ID:	219908
PubChem CID:	85165031
Reduced:	SO6C37H42 (1)
Stoich.:	AB6C37D42 (1)
Weight, g/mol:	614.350843
ΔH_f, kcal/mol:	-157.9
Dipole, Da:	2.13
IP(EA), eV:	-9.06(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-naphthalen-2-ylpropan-2-yl)cyclohexyl] 2-benzamido-7-(benzylideneamino)hept-3-enoate

Drug info:

PubChemData

Smile

CCSC1C(C(C(C(O1)C(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations