Geometry & MOs

Info

ID:	59837
PubChem CID:	24899039
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	374.136553
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	1.96
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CC=CC=C1/C=C/2\CC3=CC=CC=C3NC2=O

DOS

IR

Vibrations