Geometry & MOs

Info

ID:	441690
PubChem CID:	135240748
Reduced:	F3N6C21H23 (1)
Stoich.:	A3B6C21D23 (1)
Weight, g/mol:	368.140593
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	6.99
IP(EA), eV:	-8.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C)C1=NC2=C(C=CC=N2)C(=N1)N3CCCN3C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations