Geometry & MOs

Info

ID:	59021
PubChem CID:	24770338
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	554.145377
ΔH_f, kcal/mol:	-109.71
Dipole, Da:	6.72
IP(EA), eV:	-9.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2R,6S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6-(3-fluorophenyl)piperidin-2-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOCCOC(=O)/C(=C(/C(C)C)\NCC1=CN=C(N=C1)OC)/C#N

DOS

IR

Vibrations