Geometry & MOs

Info

ID:	155600
PubChem CID:	56366186
Reduced:	ClSO2N5H22C23 (1)
Stoich.:	ABC2D5E22F23 (1)
Weight, g/mol:	489.168205
ΔH_f, kcal/mol:	16.86
Dipole, Da:	6.31
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-nitrophenyl)sulfonyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCCC(=O)NCC3=CC=NC=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations