Geometry & MOs

Info

ID:	382474
PubChem CID:	134973666
Reduced:	OC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	595.281503
ΔH_f, kcal/mol:	-235.86
Dipole, Da:	2.56
IP(EA), eV:	-10.35(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-butyl-7-(methoxymethoxy)-2-[2-(4-methylphenyl)sulfonyloxyethyl]-3-oxo-4-[(2S)-1-oxopropan-2-yl]-8-azabicyclo[3.2.1]octane-8-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

C[C@H]1CCC[C@H]([C@@H]1[C@H](C)C(=O)OC(C)(C)C)C(=O)OC

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

C[C@H]1CCC[C@H]([C@@H]1[C@H](C)C(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):