Geometry & MOs

Info

ID:	398936
PubChem CID:	135036437
Reduced:	FOH11C14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	2.26
IP(EA), eV:	-7.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5aR,8aR,8bR)-3a,5a-dimethyl-6-[(2R)-6-methylhept-5-en-2-yl]-4,5,6,7,8a,8b-hexahydro-1H-cyclopenta[e][1]benzofuran-2,8-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@@]1(CC2=C(O1)C3=CC=CC=C3C4=C2C[C@@](O4)(C)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

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@@]1(CC2=C(O1)C3=CC=CC=C3C4=C2C[C@@](O4)(C)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):