Geometry & MOs

Info

ID:

441609

PubChem CID:

135237177

Reduced:

FSN6O7H27C32 (1)

Stoich.:

ABC6D7E27F32 (1)

Weight, g/mol:

544.199663

ΔHf, kcal/mol:

-112.79

Dipole, Da:

11.33

IP(EA), eV:

 -9.07(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2-[5-(difluoromethyl)pyridin-2-yl]oxy-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1NC2=NC=CC(=N2)N3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)[N+](=O)[O-])F

DOS

IR

Vibrations