Geometry & MOs

Info

ID:	423623
PubChem CID:	135119865
Reduced:	NO6C21H27 (1)
Stoich.:	AB6C21D27 (1)
Weight, g/mol:	377.161406
ΔH_f, kcal/mol:	-238.94
Dipole, Da:	6.14
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OC(C)(C)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations