Geometry & MOs

Info

ID:

184732

PubChem CID:

77200378

Reduced:

FSN4O4C25H31 (1)

Stoich.:

ABC4D4E25F31 (1)

Weight, g/mol:

497.195997

ΔHf, kcal/mol:

-144.61

Dipole, Da:

5.71

IP(EA), eV:

 -8.53(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(3,4-difluoro-5-propan-2-yloxyphenyl)methyl]-1-(3-fluorophenyl)-3,7-dimethyl-2lambda6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations