Geometry & MOs

Info

ID:	409131
PubChem CID:	135081908
Reduced:	N3O6C29H37 (1)
Stoich.:	A3B6C29D37 (1)
Weight, g/mol:	514.304287
ΔH_f, kcal/mol:	-217.99
Dipole, Da:	5.95
IP(EA), eV:	-8.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6R)-6-[2-[4-[2-[(3E,6E,9E)-6,8-dimethylundeca-3,6,9-trienyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-2-methoxyethyl]-2-methoxy-2-methyloxan-4-ol

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]1CCC2([C@@H](C[C@H](C(O2)[C@@H](C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

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]1CCC2([C@@H](C[C@H](C(O2)[C@@H](C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):