Geometry & MOs

Info

ID:	418009
PubChem CID:	135103309
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	377.161406
ΔH_f, kcal/mol:	48.11
Dipole, Da:	2.14
IP(EA), eV:	-8.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN(CC2=CC=CC=C2)CC(=O)NC3=CN(N=C3C)C

DOS

IR

Vibrations