Geometry & MOs

Info

ID:	421983
PubChem CID:	135116964
Reduced:	FON4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	4.23
IP(EA), eV:	-8.52(0.1)
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]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations