Geometry & MOs

Info

ID:	415732
PubChem CID:	135088732
Reduced:	OF3N4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	392.060899
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	3.48
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-5-[[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]sulfonyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations