Geometry & MOs

Info

ID:	128063
PubChem CID:	51029419
Reduced:	O7C23H38 (1)
Stoich.:	A7B23C38 (1)
Weight, g/mol:	434.266839
ΔH_f, kcal/mol:	-362.18
Dipole, Da:	7.6
IP(EA), eV:	-9.06(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,21S,22R,23R,24S,25S,26R,27R,28S,29S)-5,8,11,14,17,30-hexaoxaheptacyclo[19.8.1.123,28.01,26.021,25.022,29.024,27]hentriacontane

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@@H](C)C(O)O[C@H]1C[C@H](C=C2[C@@H]1[C@@H]([C@@H](C=C2)C)CC[C@@H](C[C@@H](CC(=O)O)O)O)O

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@@H](C)C(O)O[C@H]1C[C@H](C=C2[C@@H]1[C@@H]([C@@H](C=C2)C)CC[C@@H](C[C@@H](CC(=O)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):