Geometry & MOs

Info

ID:	420747
PubChem CID:	135114755
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-15.86
Dipole, Da:	5.54
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-3-methylphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations