Geometry & MOs

Info

ID:	407120
PubChem CID:	135079358
Reduced:	BrSO3F4H11C16 (1)
Stoich.:	ABC3D4E11F16 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-264.91
Dipole, Da:	6.51
IP(EA), eV:	-9.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6S)-7-azabicyclo[4.1.0]hept-3-en-7-yl]-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(/C2=CC(=CC=C2)F)\Br)/C(F)(F)F

DOS

IR

Vibrations