Geometry & MOs

Info

ID:

148215

PubChem CID:

53787877

Reduced:

N6O6C19H24 (1)

Stoich.:

A6B6C19D24 (1)

Weight, g/mol:

690.471093

ΔHf, kcal/mol:

-226.1

Dipole, Da:

11.61

IP(EA), eV:

 -9.26(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-propylpentanoate

Drug info:

PubChemData

Smile

C1C(CNC2=C1C(=O)N=C(N2)N)CCC3=CC=C(N3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations