Geometry & MOs

Info

ID:	322332
PubChem CID:	126669781
Reduced:	ClNSO3C19H28 (1)
Stoich.:	ABCD3E19F28 (1)
Weight, g/mol:	460.235352
ΔH_f, kcal/mol:	-144.03
Dipole, Da:	6.12
IP(EA), eV:	-8.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(N(C1)[S@@](=O)C(C)(C)C)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations