Geometry & MOs

Info

ID:	410428
PubChem CID:	135083224
Reduced:	NO3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	412.132924
ΔH_f, kcal/mol:	-187.42
Dipole, Da:	4.25
IP(EA), eV:	-10.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(Z)-[(2Z)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminoethylidene]amino]oxyoxane-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

C1=CC=NC(=C1)/C=N/O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)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=CC=NC(=C1)/C=N/O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):