Geometry & MOs

Info

ID:	365710
PubChem CID:	127318435
Reduced:	SN3O5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-160.45
Dipole, Da:	3.26
IP(EA), eV:	-9.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopentyl-2-phenylpyrazol-3-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3CC4CCC3O4

DOS

IR

Vibrations