Geometry & MOs

Info

ID:	45054
PubChem CID:	10507572
Reduced:	O3C32H33 (1)
Stoich.:	A3B32C33 (1)
Weight, g/mol:	587.226765
ΔH_f, kcal/mol:	-30.59
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.138591
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC(=C3)[C]4[CH][CH][CH][CH]4

DOS

IR

Vibrations