Geometry & MOs

Info

ID:	221644
PubChem CID:	85285814
Reduced:	SO4N6C30H40 (1)
Stoich.:	AB4C6D30E40 (1)
Weight, g/mol:	572.256274
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	7.6
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-tris(phenylmethoxy)hex-5-en-2-yl naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3NC4CC5C(CC4C(=O)N3)N(C=N5)CC6=CC=CC=C6

DOS

IR

Vibrations