Geometry & MOs

Info

ID:

1489

PubChem CID:

4587

Reduced:

NO12C35H61 (1)

Stoich.:

AB12C35D61 (1)

Weight, g/mol:

687.419376

ΔHf, kcal/mol:

-559.93

Dipole, Da:

1.65

IP(EA), eV:

 -9.1(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione

Drug info:

PubChemData

Smile

CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C

DOS

IR

Vibrations