Geometry & MOs

Info

ID:	204010
PubChem CID:	79900380
Reduced:	FSN3O4C12H16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	307.1606
ΔH_f, kcal/mol:	-204.73
Dipole, Da:	7.69
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1S(=O)(=O)N2CC(CC2C(=O)N)O)N)F

DOS

IR

Vibrations