Geometry & MOs

Info

ID:	305945
PubChem CID:	124975251
Reduced:	ClSN2O5C26H33 (1)
Stoich.:	ABC2D5E26F33 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-189.97
Dipole, Da:	2.32
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-N-[(3S)-1-(6-methylpyridin-2-yl)piperidin-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@](C2)(CC(=O)N3CCOCC3)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations