Geometry & MOs

Info

ID:	163108
PubChem CID:	57641454
Reduced:	NS2O8C12H17 (1)
Stoich.:	AB2C8D12E17 (1)
Weight, g/mol:	365.078052
ΔH_f, kcal/mol:	-245.14
Dipole, Da:	0.5
IP(EA), eV:	-9.25(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-6-[[(3R,6R)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxysulfanyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate

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

C1[C@H](C2C(O1)[C@H](CO2)SS[C@H]3COC4C3OC[C@H]4O[N+](=O)[O-])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

C1[C@H](C2C(O1)[C@H](CO2)SS[C@H]3COC4C3OC[C@H]4O[N+](=O)[O-])O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):