Geometry & MOs

Info

ID:	44843
PubChem CID:	10506138
Reduced:	NO4C33H45 (1)
Stoich.:	AB4C33D45 (1)
Weight, g/mol:	519.255128
ΔH_f, kcal/mol:	-167.91
Dipole, Da:	3.96
IP(EA), eV:	-9.21(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,5S,6R,7S,7aR)-5-deuterio-2,2,3-trimethyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-3a,6,7,7a-tetrahydro-3H-oxasilolo[4,5-b]pyran

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@H](C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)O[C@H]2CC(=O)N([C@H]2CCC=C)C(=O)OCC3=CC=CC=C3

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@H](C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)O[C@H]2CC(=O)N([C@H]2CCC=C)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):