Geometry & MOs

Info

ID:	33690
PubChem CID:	7887514
Reduced:	FN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	416.117271
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	6.1
IP(EA), eV:	-9.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)F

DOS

IR

Vibrations