Geometry & MOs

Info

ID:	128054
PubChem CID:	51028958
Reduced:	O7C19H26 (1)
Stoich.:	A7B19C26 (1)
Weight, g/mol:	637.265122
ΔH_f, kcal/mol:	-313.64
Dipole, Da:	4.17
IP(EA), eV:	-10.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'R,5R,6'R,13'S)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1,3-oxazolidine-5,5'-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraene]-2-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]1C[C@H]2[C@H]([C@@H]([C@]3(C1C(C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2

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]1C[C@H]2[C@H]([C@@H]([C@]3(C1C(C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):