Geometry & MOs

Info

ID:	64455
PubChem CID:	29200695
Reduced:	SF2N2O3C19H26 (1)
Stoich.:	AB2C2D3E19F26 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-215.0
Dipole, Da:	8.66
IP(EA), eV:	-9.31(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2R)-2-ethylpiperidin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations