Geometry & MOs

Info

ID:	15714
PubChem CID:	447889
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	7.64
IP(EA), eV:	-9.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC(=CC=C2)C(=N)N)C(=O)N3CCCCC3

DOS

IR

Vibrations