Geometry & MOs

Info

ID:	298628
PubChem CID:	117652429
Reduced:	FN3O3C29H42 (1)
Stoich.:	AB3C3D29E42 (1)
Weight, g/mol:	516.134652
ΔH_f, kcal/mol:	-184.71
Dipole, Da:	7.52
IP(EA), eV:	-8.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(3-chloropyridin-2-yl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-2-methyl-N-methylsulfonylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1CCN(CC1)CC2CCC3=C(C2=O)C4=C(N3CCCCCC(=O)OCC)C=CC(=C4)F

DOS

IR

Vibrations