Geometry & MOs

Info

ID:	350586
PubChem CID:	127278621
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	399.194026
ΔH_f, kcal/mol:	-174.94
Dipole, Da:	4.35
IP(EA), eV:	-9.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(4-methylmorpholin-2-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NCC3CCCCO3

DOS

IR

Vibrations