Geometry & MOs

Info

ID:	418919
PubChem CID:	135107117
Reduced:	O2N3F4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-209.09
Dipole, Da:	6.3
IP(EA), eV:	-9.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

C1CC1C2=NNC3=C2CN(CC3)C(=O)C4=CC=CC=C4OC(C(F)F)(F)F

DOS

IR

Vibrations