Geometry & MOs

Info

ID:	127939
PubChem CID:	51024071
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	-208.93
Dipole, Da:	3.57
IP(EA), eV:	-9.99(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3'S,9R,13R)-5-methoxy-3'-methyl-11-methylidene-4'-oxospiro[4,6-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13,2'-oxetane]-1-carboxylate

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

C1C[C@]2([C@H]([C@@H]3C[C@H]([C@H]2O3)O)[C@@H]4[C@H]1[C@H]5[C@H](C[C@@H]4O5)O)CO

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

C1C[C@]2([C@H]([C@@H]3C[C@H]([C@H]2O3)O)[C@@H]4[C@H]1[C@H]5[C@H](C[C@@H]4O5)O)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):