Geometry & MOs

Info

ID:	381716
PubChem CID:	134972527
Reduced:	SiO4C39H42 (1)
Stoich.:	AB4C39D42 (1)
Weight, g/mol:	408.208049
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	4.21
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]-5-ethenylpyrimidine-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=CC[C@H](CC1=O)/C(=C\C2=C(C=C(C=C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=CC=C5)/CO

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=CC[C@H](CC1=O)/C(=C\C2=C(C=C(C=C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=CC=C5)/CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):