Geometry & MOs

Info

ID:	414466
PubChem CID:	135087424
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	331.105371
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	3.18
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(2,4-difluorophenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)CCCN1C[C@H]([C@@H](C1)O)CC2=CC=CC=N2

DOS

IR

Vibrations