Geometry & MOs

Info

ID:	16409
PubChem CID:	467262
Reduced:	O3C10H11 (2)
Stoich.:	A3B10C11 (2)
Weight, g/mol:	358.141638
ΔH_f, kcal/mol:	-242.2
Dipole, Da:	6.61
IP(EA), eV:	-9.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16R,17S,18R)-18-hydroxy-6-(hydroxymethyl)-10,10,16,17-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one

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]1[C@H](OC2=C([C@@H]1O)C3=C(C(=CC(=O)O3)CO)C4=C2C=CC(O4)(C)C)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

C[C@@H]1[C@H](OC2=C([C@@H]1O)C3=C(C(=CC(=O)O3)CO)C4=C2C=CC(O4)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):