Geometry & MOs

Info

ID:	420634
PubChem CID:	135114503
Reduced:	NOC20H31 (1)
Stoich.:	ABC20D31 (1)
Weight, g/mol:	437.162057
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	1.37
IP(EA), eV:	-8.44(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations