Geometry & MOs

Info

ID:	44836
PubChem CID:	10506103
Reduced:	SN2O5C29H30 (1)
Stoich.:	AB2C5D29E30 (1)
Weight, g/mol:	518.22458
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	4.42
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-phenylprop-2-enoxy]-1-[2-[(E)-3-phenylprop-2-enoxy]naphthalen-1-yl]naphthalene

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)S[C@@H]12)C(=O)OCC5=CC=C(C=C5)OC

DOS

IR

Vibrations