Geometry & MOs

Info

ID:	158532
PubChem CID:	56464139
Reduced:	OSN5C22H29 (1)
Stoich.:	ABC5D22E29 (1)
Weight, g/mol:	404.188212
ΔH_f, kcal/mol:	44.81
Dipole, Da:	5.89
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)sulfonyl-N-[2-[cyclopropyl(methyl)amino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCC(C)N(C)C4CC4

DOS

IR

Vibrations