Geometry & MOs

Info

ID:	383439
PubChem CID:	134975168
Reduced:	NC25H27 (1)
Stoich.:	AB25C27 (1)
Weight, g/mol:	290.136553
ΔH_f, kcal/mol:	81.37
Dipole, Da:	2.67
IP(EA), eV:	-8.26(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(2S,5R)-5-[(1S)-2-ethoxy-1-hydroxy-2-oxoethyl]-5-methyloxolan-2-yl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCCCC#CC(C=CC1=CC=CC=C1)C2=CNC3=C(C=CC=C23)CC

DOS

IR

Vibrations