Geometry & MOs

Info

ID:

184733

PubChem CID:

77200379

Reduced:

SF3N3O3C24H30 (1)

Stoich.:

AB3C3D3E24F30 (1)

Weight, g/mol:

504.220655

ΔHf, kcal/mol:

-225.45

Dipole, Da:

5.14

IP(EA), eV:

 -9.11(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,2-dihydroxy-8-[(4-hydroxy-3-propan-2-yloxyphenyl)methyl]-3,7-dimethyl-2lambda4-thia-1,3,8-triazaspiro[4.5]decan-1-yl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1CC2(CCN1CC3=CC(=C(C(=C3)F)F)OC(C)C)CN(S(=O)(=O)N2C4=CC(=CC=C4)F)C

DOS

IR

Vibrations