Geometry & MOs

Info

ID:

449610

PubChem CID:

135300042

Reduced:

ClSO3N4H23C32 (1)

Stoich.:

ABC3D4E23F32 (1)

Weight, g/mol:

459.2055

ΔHf, kcal/mol:

89.68

Dipole, Da:

5.97

IP(EA), eV:

 -8.48(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-tert-butylsulfinyl-4'-methoxy-6-(3,3,3-trifluoropropoxy)spiro[3,7b-dihydro-1aH-naphtho[1,2-b]azirine-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=C2C(=NO3)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C#CC6=CC=CC=N6

DOS

IR

Vibrations