Geometry & MOs

Info

ID:	442319
PubChem CID:	135251314
Reduced:	SN2F3O6C18H29 (1)
Stoich.:	AB2C3D6E18F29 (1)
Weight, g/mol:	175.103085
ΔH_f, kcal/mol:	-417.88
Dipole, Da:	10.52
IP(EA), eV:	-9.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)propylsulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CN(C1CCOC2(C1)CCN(CC2)C(=O)O[C@H](CO)C(F)(F)F)S(=O)(=O)CC3CC3

DOS

IR

Vibrations