Geometry & MOs

Info

ID:	382237
PubChem CID:	134973250
Reduced:	O7C22H28 (1)
Stoich.:	A7B22C28 (1)
Weight, g/mol:	508.278876
ΔH_f, kcal/mol:	-293.1
Dipole, Da:	2.19
IP(EA), eV:	-9.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-but-1-ynylpyrimidine-2,4-dione

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

CC1(OC[C@@H](O1)C/C=C\[C@@H]2[C@H]3[C@@H]([C@H](O2)OC(=O)C4=CC=CC=C4)OC(O3)(C)C)C

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

CC1(OC[C@@H](O1)C/C=C\[C@@H]2[C@H]3[C@@H]([C@H](O2)OC(=O)C4=CC=CC=C4)OC(O3)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):