Geometry & MOs

Info

ID:	42326
PubChem CID:	8149439
Reduced:	SO2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	20.62
Dipole, Da:	2.38
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CNC4=CC5=C(C=C4)OC6=CC=CC=C65

DOS

IR

Vibrations