Geometry & MOs

Info

ID:	323495
PubChem CID:	126675032
Reduced:	N3O6C12H23 (1)
Stoich.:	A3B6C12D23 (1)
Weight, g/mol:	481.263544
ΔH_f, kcal/mol:	-264.1
Dipole, Da:	3.95
IP(EA), eV:	-9.61(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-5-amino-6-[(1R,4R)-6-amino-2-[(2S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-4-methylcyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol

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(C([C@@H](C1N)O[C@@H]2[C@H](C(C=C(O2)CO)O)N)O)O)N

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(C([C@@H](C1N)O[C@@H]2[C@H](C(C=C(O2)CO)O)N)O)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):