Geometry & MOs

Info

ID:	12043
PubChem CID:	127767
Reduced:	NO9C14H25 (1)
Stoich.:	AB9C14D25 (1)
Weight, g/mol:	351.152931
ΔH_f, kcal/mol:	-390.89
Dipole, Da:	3.21
IP(EA), eV:	-9.57(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,6R)-6-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

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

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)N[C@@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)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

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)N[C@@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):