Geometry & MOs

Info

ID:	60794
PubChem CID:	26702280
Reduced:	N3O6C26H35 (1)
Stoich.:	A3B6C26D35 (1)
Weight, g/mol:	424.090449
ΔH_f, kcal/mol:	-239.08
Dipole, Da:	7.11
IP(EA), eV:	-8.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl) 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)NC(=O)OC(C)(C)C)OCC)N3CCOCC3

DOS

IR

Vibrations