Geometry & MOs

Info

ID:	397864
PubChem CID:	135030856
Reduced:	O9C17H26 (1)
Stoich.:	A9B17C26 (1)
Weight, g/mol:	1214.560287
ΔH_f, kcal/mol:	-398.96
Dipole, Da:	5.56
IP(EA), eV:	-10.16(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,9S)-4,4,11,11-tetramethyl-8-[[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-[[(2S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

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)O[C@@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)OCCCC=C)CO

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)O[C@@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)OCCCC=C)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):