Geometry & MOs

Info

ID:	330390
PubChem CID:	127247377
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	5.06
IP(EA), eV:	-10.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCCCC2C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations