Geometry & MOs

Info

ID:	139047
PubChem CID:	52464439
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	456.219512
ΔH_f, kcal/mol:	-114.36
Dipole, Da:	9.47
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-2-ethylpiperidine-1-carbonyl]phenyl]-2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)C[C@@H]3C(=O)N=C(S3)N4CCCCC4

DOS

IR

Vibrations