Geometry & MOs

Info

ID:	312247
PubChem CID:	126603877
Reduced:	OC11H12 (3)
Stoich.:	AB11C12 (3)
Weight, g/mol:	438.272987
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	2.3
IP(EA), eV:	-9.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5S,6R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

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

CCC1C[C@H]2[C@@H](O1)C[C@H]([C@@H]2/C=C/CCCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

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

CCC1C[C@H]2[C@@H](O1)C[C@H]([C@@H]2/C=C/CCCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):