Geometry & MOs

Info

ID:	77853
PubChem CID:	49661773
Reduced:	ClFSO3N4C23H28 (1)
Stoich.:	ABCD3E4F23G28 (1)
Weight, g/mol:	410.198777
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	3.85
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-1-(3-morpholin-4-ylsulfonylpyridin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)N3CCC(CC3)C(=O)NCC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations