Geometry & MOs

Info

ID:	272378
PubChem CID:	103740656
Reduced:	F2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	302.05367
ΔH_f, kcal/mol:	-109.67
Dipole, Da:	5.25
IP(EA), eV:	-9.24(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-difluoro-3-nitrophenyl)-(2-methylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)C(=O)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations