Geometry & MOs

Info

ID:	272377
PubChem CID:	103740654
Reduced:	SF2N2O5C11H12 (1)
Stoich.:	AB2C2D5E11F12 (1)
Weight, g/mol:	299.108148
ΔH_f, kcal/mol:	-201.87
Dipole, Da:	3.33
IP(EA), eV:	-10.01(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-difluoro-3-nitrophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations