Geometry & MOs

Info

ID:	42454
PubChem CID:	8149573
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	369.187484
ΔH_f, kcal/mol:	-53.79
Dipole, Da:	7.1
IP(EA), eV:	-8.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations