Geometry & MOs

Info

ID:	46670
PubChem CID:	10526134
Reduced:	FeNOSeC19H27 (1)
Stoich.:	ABCDE19F27 (1)
Weight, g/mol:	420.175733
ΔH_f, kcal/mol:	21.73
Dipole, Da:	3.17
IP(EA), eV:	-8.14(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(3aR,4R,6R,6aR)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]butanamide

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]([C]1[CH][CH][CH][C]1[Se]C[C@@H]2CCCO2)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

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]([C]1[CH][CH][CH][C]1[Se]C[C@@H]2CCCO2)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):