Geometry & MOs

Info

ID:

169026

PubChem CID:

75055223

Reduced:

N5F6O6C20H21 (1)

Stoich.:

A5B6C6D20E21 (1)

Weight, g/mol:

809.457493

ΔHf, kcal/mol:

-500.55

Dipole, Da:

3.27

IP(EA), eV:

 -10.3(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[1-(1,8-naphthyridin-4-ylmethyl)azetidin-3-yl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.C(C(C(=O)O)O)C(=O)O

DOS

IR

Vibrations