Geometry & MOs

Info

ID:	381960
PubChem CID:	134972838
Reduced:	ClO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	786.274962
ΔH_f, kcal/mol:	-183.9
Dipole, Da:	7.91
IP(EA), eV:	-10.18(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-2,6-dioxo-5-[(E)-2-tributylstannylethenyl]pyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2([C@@](CCC[C@]23[C@]1(CC(=O)O3)C)(C)CO)Cl

DOS

IR

Vibrations