Geometry & MOs

Info

ID:	196524
PubChem CID:	78842985
Reduced:	ClSO2N4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	433.138004
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	7.3
IP(EA), eV:	-9.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOCCNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations