Geometry & MOs

Info

ID:	140718
PubChem CID:	52746298
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	385.225308
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	4.51
IP(EA), eV:	-8.76(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC2=C(C1)C=C(C=C2)OC)OC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations