Geometry & MOs

Info

ID:	83774
PubChem CID:	49861256
Reduced:	BrOCl2N2C23H31 (1)
Stoich.:	ABC2D2E23F31 (1)
Weight, g/mol:	540.145713
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	6.05
IP(EA), eV:	-8.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrochloride

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

C1CN(C[C@H]([C@@H]1O)N2CCC(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)Br.Cl.Cl

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

C1CN(C[C@H]([C@@H]1O)N2CCC(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)Br.Cl.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):