Geometry & MOs

Info

ID:	60997
PubChem CID:	26703996
Reduced:	ClFNO6H19C23 (1)
Stoich.:	ABCD6E19F23 (1)
Weight, g/mol:	458.114772
ΔH_f, kcal/mol:	-210.33
Dipole, Da:	2.81
IP(EA), eV:	-8.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-2-methoxyphenyl) 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations