Geometry & MOs

Info

ID:	330387
PubChem CID:	127247374
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	7.31
IP(EA), eV:	-9.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCCCC2C3=C(C=NN3)S(=O)(=O)C)C

DOS

IR

Vibrations