Geometry & MOs

Info

ID:	231070
PubChem CID:	87572563
Reduced:	FeSO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	1270.852946
ΔH_f, kcal/mol:	21.4
Dipole, Da:	4.67
IP(EA), eV:	-8.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S)-2,3-bis[(3S,7S,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl acetate

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=CCC1=CC=CC=C1S(=O)(=O)O.[Fe]

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=CCC1=CC=CC=C1S(=O)(=O)O.[Fe]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):