Geometry & MOs

Info

ID:	377162
PubChem CID:	134223200
Reduced:	SO6C23H38 (1)
Stoich.:	AB6C23D38 (1)
Weight, g/mol:	440.22326
ΔH_f, kcal/mol:	-310.98
Dipole, Da:	4.13
IP(EA), eV:	-10.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5aS,6S,7S,9aR,9bR)-6-ethenyl-3a,6,9a-trimethyl-3-(2-methyl-5-oxooxolan-2-yl)-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-yl] hydrogen sulfate

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@@]12CCC3([C@@](C1CC[C@@H]2[C@@]4(CCC(=O)O4)C)(CC[C@@H](C3(C)C)OS(=O)(=O)O)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@@]12CCC3([C@@](C1CC[C@@H]2[C@@]4(CCC(=O)O4)C)(CC[C@@H](C3(C)C)OS(=O)(=O)O)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):