Geometry & MOs

Info

ID:

214771

PubChem CID:

85083610

Reduced:

FSN4O6C30H41 (1)

Stoich.:

ABC4D6E30F41 (1)

Weight, g/mol:

605.237606

ΔHf, kcal/mol:

-270.14

Dipole, Da:

9.86

IP(EA), eV:

 -8.85(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)oxan-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3CCC(C3)N(C)S(=O)(=O)CC45CCC(C4(C)C)CC5=O)C(C)(C)C

DOS

IR

Vibrations