Geometry & MOs

Info

ID:	424257
PubChem CID:	135121945
Reduced:	Si3O6C16H36 (1)
Stoich.:	A3B6C16D36 (1)
Weight, g/mol:	504.196862
ΔH_f, kcal/mol:	-428.09
Dipole, Da:	4.58
IP(EA), eV:	-9.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[2-[1-amino-3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropoxy]-2-oxoethyl]-2-hydroxybutanedioate

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

CO[C@H]1[C@@H]([C@H](C(=O)OC1CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](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

CO[C@H]1[C@@H]([C@H](C(=O)OC1CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):