Geometry & MOs

Info

ID:	144394
PubChem CID:	53360679
Reduced:	SiO4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	708.481658
ΔH_f, kcal/mol:	-147.71
Dipole, Da:	4.39
IP(EA), eV:	-8.15(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(2R,4aS,6R,8aR)-4a-methyl-6-[(5S)-5-[(2R,5R)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)oxolan-2-yl]-5-triethylsilyloxypent-1-en-2-yl]-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-5-methyloxolan-2-one

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

COC1=CC=C(C=C1)OCC[C@H]([C@@H](C#C[Si](C)(C)C)O)O

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

COC1=CC=C(C=C1)OCC[C@H]([C@@H](C#C[Si](C)(C)C)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):