Geometry & MOs

Info

ID:	380692
PubChem CID:	134971219
Reduced:	SiO8C21H36 (1)
Stoich.:	AB8C21D36 (1)
Weight, g/mol:	426.20738
ΔH_f, kcal/mol:	-400.82
Dipole, Da:	6.17
IP(EA), eV:	-8.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]oxirane-2-carboxylate

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)[Si](C)(C)OC[C@]([C@@H]([C@@H]([C@H](COCC1=CC=CC=C1)O)O)O)(C(=O)OC)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)[Si](C)(C)OC[C@]([C@@H]([C@@H]([C@H](COCC1=CC=CC=C1)O)O)O)(C(=O)OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):