Geometry & MOs

Info

ID:	184730
PubChem CID:	77200052
Reduced:	NO3C28H37 (1)
Stoich.:	AB3C28D37 (1)
Weight, g/mol:	505.140688
ΔH_f, kcal/mol:	-133.21
Dipole, Da:	6.19
IP(EA), eV:	-8.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2lambda6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethoxy)pyrimidin-5-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCC(CC2)OC3=CC4=C(C=C3)C=C(C=C4)CN5CCC(C5)C(=O)O

DOS

IR

Vibrations