Geometry & MOs

Info

ID:	382664
PubChem CID:	134973950
Reduced:	O8C47H52 (1)
Stoich.:	A8B47C52 (1)
Weight, g/mol:	826.369013
ΔH_f, kcal/mol:	-239.3
Dipole, Da:	7.19
IP(EA), eV:	-8.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-bis[(2R,5S)-4-azido-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl]-2-methylbenzene-1,3-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

CC1[C@@H]([C@@H](C[C@H](O1)C2=CC(=C(C(=C2O)C)O)[C@@H]3C[C@H]([C@H](C(O3)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

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

CC1[C@@H]([C@@H](C[C@H](O1)C2=CC(=C(C(=C2O)C)O)[C@@H]3C[C@H]([C@H](C(O3)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):