Geometry & MOs

Info

ID:	42566
PubChem CID:	8149711
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	2.74
IP(EA), eV:	-8.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-cyanophenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NC4CC4

DOS

IR

Vibrations