Geometry & MOs

Info

ID:

378742

PubChem CID:

134224838

Reduced:

N4O7C35H42 (1)

Stoich.:

A4B7C35D42 (1)

Weight, g/mol:

590.299202

ΔHf, kcal/mol:

-173.93

Dipole, Da:

3.27

IP(EA), eV:

 -9.37(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[6-[[(8aR)-7-amino-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]hexyl]-N-benzylcarbamate

Drug info:

PubChemData

Smile

C1[C@H]2C(C(C(OCC1OC(O2)C3=CC=CC=C3)OCCCCCCN(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)N=[N+]=[N-])O

DOS

IR

Vibrations