Geometry & MOs

Info

ID:	42559
PubChem CID:	8149703
Reduced:	ClOS2N3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	40.04
Dipole, Da:	3.28
IP(EA), eV:	-8.73(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations