Geometry & MOs

Info

ID:	138400
PubChem CID:	52360204
Reduced:	ClOSN3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	20.99
Dipole, Da:	2.99
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CSC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations