Geometry & MOs

Info

ID:	51798
PubChem CID:	12014545
Reduced:	O2C13H18 (2)
Stoich.:	A2B13C18 (2)
Weight, g/mol:	476.198759
ΔH_f, kcal/mol:	-187.47
Dipole, Da:	5.14
IP(EA), eV:	-8.7(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,5S,6S,7R,14S,15R,16R,17R,19S,20S,21S,22R,29S,30R)-32,34-dioxaundecacyclo[18.10.1.15,16.17,14.122,29.02,19.04,17.06,15.08,13.021,30.023,28]tetratriaconta-8,10,12,23,25,27-hexaene-3,18-dione

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

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C23CCCC(=O)C2CC3)C(C)(C)C4=CC=C(C=C4)OC

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

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C23CCCC(=O)C2CC3)C(C)(C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):