Geometry & MOs

Info

ID:	448085
PubChem CID:	135288363
Reduced:	ON4H7C11 (2)
Stoich.:	AB4C7D11 (2)
Weight, g/mol:	932.234607
ΔH_f, kcal/mol:	177.98
Dipole, Da:	10.86
IP(EA), eV:	-8.41(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-6-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(3-fluorophenyl)triazol-1-yl]oxyoxan-2-yl]sulfanyl-4-[4-(3-fluorophenyl)triazol-1-yl]oxyoxan-2-yl]methyl acetate

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

C1OC2=C(O1)C=C(C=C2)C3=NC=CC4=N/C(=C/5\C6=C(C=CC(=N6)C7=CNN=C7)NN5)/N=C43

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

C1OC2=C(O1)C=C(C=C2)C3=NC=CC4=N/C(=C/5\C6=C(C=CC(=N6)C7=CNN=C7)NN5)/N=C43

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):