Geometry & MOs

Info

ID:	243639
PubChem CID:	99233581
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-157.44
Dipole, Da:	1.53
IP(EA), eV:	-9.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CS3

DOS

IR

Vibrations