Geometry & MOs

Info

ID:	330389
PubChem CID:	127247376
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	7.78
IP(EA), eV:	-9.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCCCC2C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations