Geometry & MOs

Info

ID:	42455
PubChem CID:	8149574
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	369.187484
ΔH_f, kcal/mol:	-10.74
Dipole, Da:	4.46
IP(EA), eV:	-7.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1SC)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations