Geometry & MOs

Info

ID:	397846
PubChem CID:	135030835
Reduced:	SiO4C32H42 (1)
Stoich.:	AB4C32D42 (1)
Weight, g/mol:	618.337666
ΔH_f, kcal/mol:	-161.51
Dipole, Da:	3.5
IP(EA), eV:	-9.04(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1S,2S,5S,6R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxan-5-yl)-6-ethenyl-2-methylcyclohex-3-en-1-yl]-4-hydroxy-2-methylidenebutanoate

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]1C=C([C@@H]([C@@H]([C@H]1C=O)C=C)C2COC(OC2)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)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

C[C@@H]1C=C([C@@H]([C@@H]([C@H]1C=O)C=C)C2COC(OC2)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):