Geometry & MOs

Info

ID:	305491
PubChem CID:	124956759
Reduced:	SO2N4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	2.85
IP(EA), eV:	-8.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,4-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCN(C[C@@H](C2)C(=O)N)C

DOS

IR

Vibrations