Geometry & MOs

Info

ID:	74891
PubChem CID:	48422653
Reduced:	SF2N2O4C17H22 (1)
Stoich.:	AB2C2D4E17F22 (1)
Weight, g/mol:	371.151492
ΔH_f, kcal/mol:	-219.47
Dipole, Da:	3.55
IP(EA), eV:	-9.31(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F)OCC3CC3

DOS

IR

Vibrations