Geometry & MOs

Info

ID:	168537
PubChem CID:	74983473
Reduced:	SO3N5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	534.267605
ΔH_f, kcal/mol:	-55.51
Dipole, Da:	6.09
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2-fluoroethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C(CC1=CC=C(C=C1)C(N)NN)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations