Geometry & MOs

Info

ID:	414437
PubChem CID:	135087395
Reduced:	FN4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	339.150429
ΔH_f, kcal/mol:	10.6
Dipole, Da:	2.73
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(4-methoxy-3-methylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4=C(C=CC=N4)F

DOS

IR

Vibrations