Geometry & MOs

Info

ID:	46981
PubChem CID:	10528750
Reduced:	S2O5C25H36 (1)
Stoich.:	A2B5C25D36 (1)
Weight, g/mol:	480.247805
ΔH_f, kcal/mol:	-206.01
Dipole, Da:	5.89
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,8aS,8bR)-1-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-5-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid

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@@]12CCC[C@@]([C@H]1CC[C@H]3C2=CC([C@@](C3)(C)C(=O)OCC=C)OC(=S)SC)(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@@]12CCC[C@@]([C@H]1CC[C@H]3C2=CC([C@@](C3)(C)C(=O)OCC=C)OC(=S)SC)(C)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):