Geometry & MOs

Info

ID:	409733
PubChem CID:	135082518
Reduced:	PO4H10C13 (2)
Stoich.:	AB4C10D13 (2)
Weight, g/mol:	348.076275
ΔH_f, kcal/mol:	-325.64
Dipole, Da:	2.83
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3R,3aR,6R,6aS)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

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]([C@@H]2[C@H](O1)[C@@H](CO2)OP3OC4=CC=CC5=C4C(=CC=C5)O3)OP6OC7=CC=CC8=C7C(=CC=C8)O6

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]([C@@H]2[C@H](O1)[C@@H](CO2)OP3OC4=CC=CC5=C4C(=CC=C5)O3)OP6OC7=CC=CC8=C7C(=CC=C8)O6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):