Geometry & MOs

Info

ID:	306072
PubChem CID:	125001559
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-32.68
Dipole, Da:	5.9
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1[C@@H]2CN(CCO2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations