Geometry & MOs

Info

ID:	400511
PubChem CID:	135048170
Reduced:	N2O5C30H42 (1)
Stoich.:	A2B5C30D42 (1)
Weight, g/mol:	408.121829
ΔH_f, kcal/mol:	-163.64
Dipole, Da:	1.61
IP(EA), eV:	-8.09(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,3aS,6aR)-5,5-dimethyl-3-phenylmethoxy-2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-2-yl]methyl trifluoromethanesulfonate

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

CC(C)[C@@H](COC(C)(C)C)N=CN1CCC2=CC3=C(C=C2[C@@H]1CCC4=CC(=C(C=C4)OC)OC)OCO3

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

CC(C)[C@@H](COC(C)(C)C)N=CN1CCC2=CC3=C(C=C2[C@@H]1CCC4=CC(=C(C=C4)OC)OC)OCO3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):