Geometry & MOs

Info

ID:	43091
PubChem CID:	10318421
Reduced:	SO2N5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	393.141008
ΔH_f, kcal/mol:	46.87
Dipole, Da:	3.32
IP(EA), eV:	-8.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-(5-fluoro-2-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CN=CC3=C(NN=C23)S(=O)(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations