Geometry & MOs

Info

ID:	140131
PubChem CID:	52652136
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	442.061776
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	1.89
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-chloro-5-methylphenoxy)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)[C@@H](C)OC3=CC=CC(=C3)C(C)C

DOS

IR

Vibrations