Geometry & MOs

Info

ID:	221727
PubChem CID:	85286081
Reduced:	PN2O7C34H35 (1)
Stoich.:	AB2C7D34E35 (1)
Weight, g/mol:	614.350843
ΔH_f, kcal/mol:	-267.8
Dipole, Da:	1.99
IP(EA), eV:	-9.36(-0.3)
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-5-(benzylideneamino)-2-ethenylpentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CP(=O)(C(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)C(=O)NC(CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations