Geometry & MOs

Info

ID:	194955
PubChem CID:	78613054
Reduced:	F2N3O4C17H17 (1)
Stoich.:	A2B3C4D17E17 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-187.6
Dipole, Da:	5.15
IP(EA), eV:	-9.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)NNC(=O)C2=CC=CN2)OC(F)F

DOS

IR

Vibrations