Geometry & MOs

Info

ID:	305187
PubChem CID:	124767417
Reduced:	NO2C14H18 (2)
Stoich.:	AB2C14D18 (2)
Weight, g/mol:	386.136553
ΔH_f, kcal/mol:	-155.93
Dipole, Da:	3.01
IP(EA), eV:	-8.38(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5S)-4,5-dihydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CN3CCCC[C@H]3C)O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations