Geometry & MOs

Info

ID:	49604
PubChem CID:	11533347
Reduced:	SiO6C28H36 (1)
Stoich.:	AB6C28D36 (1)
Weight, g/mol:	496.376389
ΔH_f, kcal/mol:	-251.3
Dipole, Da:	2.26
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,6R,8S,9S,11S)-2-[(E,2R,3S,4S)-3-hydroxy-4,6-dimethyloct-6-en-2-yl]-8-[(2S,3S,4S)-3-hydroxy-4-methylhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-11-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

CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2[C@@H](/C=C/C=O)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC)C

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

CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2[C@@H](/C=C/C=O)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):