Geometry & MOs

Info

ID:	416501
PubChem CID:	135089516
Reduced:	SN2O4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	297.12957
ΔH_f, kcal/mol:	-202.23
Dipole, Da:	8.19
IP(EA), eV:	-9.47(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(2-chloro-3-fluorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)CCCS(=O)(=O)N)O

DOS

IR

Vibrations