Geometry & MOs

Info

ID:	200202
PubChem CID:	79361783
Reduced:	FSN2O2C15H23 (1)
Stoich.:	ABC2D2E15F23 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	5.04
IP(EA), eV:	-9.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-3-methylbutyl)-5-methylazepan-2-one

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)CNS(=O)(=O)C2=CC(=C(C=C2)F)CN)C

DOS

IR

Vibrations