Geometry & MOs

Info

ID:	422159
PubChem CID:	135117310
Reduced:	FSN2O5C14H19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-231.37
Dipole, Da:	5.09
IP(EA), eV:	-9.38(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2,6-dihydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=C(C=C2)F)O

DOS

IR

Vibrations