Geometry & MOs

Info

ID:	228755
PubChem CID:	87565677
Reduced:	NSiO10C25H43 (1)
Stoich.:	ABC10D25E43 (1)
Weight, g/mol:	545.387524
ΔH_f, kcal/mol:	-552.99
Dipole, Da:	8.69
IP(EA), eV:	-9.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2,4,5,5,6,7,7-nonadeuterio-3-azabicyclo[4.1.0]heptan-3-yl]-[4,5-dideuterio-3-(1,1,2-trideuterioethoxy)-6-(trideuteriomethyl)pyridin-2-yl]methanone

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

CCO[Si](CCCNC(=O)CCC(CCC(OC(=O)C(=C)C)OC(=O)C(=C)C)C(=O)O)(OCC)OCC

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

CCO[Si](CCCNC(=O)CCC(CCC(OC(=O)C(=C)C)OC(=O)C(=C)C)C(=O)O)(OCC)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):