Geometry & MOs

Info

ID:	382149
PubChem CID:	134973111
Reduced:	NO6C27H35 (1)
Stoich.:	AB6C27D35 (1)
Weight, g/mol:	458.154299
ΔH_f, kcal/mol:	-242.17
Dipole, Da:	3.05
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC/C=C\C=C/C(=O)N/C=C/CC1CCC2C[C@@H](C[C@@H](O2)CCC3=C(C(=CC=C3)O)C(=O)O1)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC/C=C\C=C/C(=O)N/C=C/CC1CCC2C[C@@H](C[C@@H](O2)CCC3=C(C(=CC=C3)O)C(=O)O1)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):