Geometry & MOs

Info

ID:	392908
PubChem CID:	135018421
Reduced:	NO5C29H33 (1)
Stoich.:	AB5C29D33 (1)
Weight, g/mol:	475.235873
ΔH_f, kcal/mol:	-109.94
Dipole, Da:	1.59
IP(EA), eV:	-8.99(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3aS,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl]methanol

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

C1[C@H](ON2[C@@H]1[C@@H]([C@H]([C@@H]2COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)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

C1[C@H](ON2[C@@H]1[C@@H]([C@H]([C@@H]2COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):