Geometry & MOs

Info

ID:	37944
PubChem CID:	8025743
Reduced:	F2N2O4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-224.42
Dipole, Da:	8.56
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-ethoxyanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations