Geometry & MOs

Info

ID:	234715
PubChem CID:	92303366
Reduced:	NF4O8C14H17 (1)
Stoich.:	AB4C8D14E17 (1)
Weight, g/mol:	362.121297
ΔH_f, kcal/mol:	-563.5
Dipole, Da:	5.18
IP(EA), eV:	-10.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aS,5R,6R,7S,7aR)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-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

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)F)NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C

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(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)F)NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):