Geometry & MOs

Info

ID:

221773

PubChem CID:

85286129

Reduced:

N3O5C37H53 (1)

Stoich.:

A3B5C37D53 (1)

Weight, g/mol:

618.358795

ΔHf, kcal/mol:

-194.37

Dipole, Da:

8.18

IP(EA), eV:

 -9.27(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-4-methylhex-5-enyl]-3-hydroxy-4,4,8-trimethyl-9-(2-oxoethyl)-1,10-dioxaspiro[4.5]decan-7-yl] benzoate

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC6C(C5CCC4(C3(CC2)C)C)(C(=O)O6)C)C)C(=O)NC(CC7=CN=CN7)C(=O)OC

DOS

IR

Vibrations