Geometry & MOs

Info

ID:	375932
PubChem CID:	134221928
Reduced:	FOCl2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	823.264011
ΔH_f, kcal/mol:	-23.03
Dipole, Da:	4.37
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5-[5-aminopentoxy(hydroxy)phosphoryl]oxy-2,3,4-trihydroxypentoxy]-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] [2,3,4-trihydroxy-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]oxypentyl] hydrogen phosphate

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

CC(/C=C/C1=CC(=C(C=C1)CNC)F)C2=CC(=C(C(=C2)Cl)Cl)N3C=CC(=NC3=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

CC(/C=C/C1=CC(=C(C=C1)CNC)F)C2=CC(=C(C(=C2)Cl)Cl)N3C=CC(=NC3=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):