Geometry & MOs

Info

ID:	47240
PubChem CID:	10530824
Reduced:	N2O6C33H36 (1)
Stoich.:	A2B6C33D36 (1)
Weight, g/mol:	556.303618
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	1.08
IP(EA), eV:	-9.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,9R,21R,25S)-2,12,18,28-tetraoxapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),13(35),14,16,29,31-hexaene-5,9,21,25-tetrol

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

CCOC(=O)N1C=NC(=C1[C@H]2[C@@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)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

CCOC(=O)N1C=NC(=C1[C@H]2[C@@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):