Geometry & MOs

Info

ID:	298886
PubChem CID:	117663436
Reduced:	N6O6C21H22 (1)
Stoich.:	A6B6C21D22 (1)
Weight, g/mol:	500.210506
ΔH_f, kcal/mol:	-176.46
Dipole, Da:	1.76
IP(EA), eV:	-9.04(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,5R)-2-[(2S,3S,6S)-6-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-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

CCC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=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

CCC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):