Geometry & MOs

Info

ID:	155536
PubChem CID:	56365872
Reduced:	SO2N5C28H29 (1)
Stoich.:	AB2C5D28E29 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	46.71
Dipole, Da:	6.41
IP(EA), eV:	-9.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-(2-nitroanilino)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

DOS

IR

Vibrations