Geometry & MOs

Info

ID:	309511
PubChem CID:	126546759
Reduced:	NF2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	242.054755
ΔH_f, kcal/mol:	-194.05
Dipole, Da:	5.26
IP(EA), eV:	-8.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[(pyridin-2-yldisulfanyl)amino]butan-2-one

Drug info:

PubChemData

Smile

CC[C@H]1C[C@]2(C(=CC1=O)OCO2)[C@H](C)CC3=CC(=C(C=C3F)NC)F

DOS

IR

Vibrations