Geometry & MOs

Info

ID:	221252
PubChem CID:	85261702
Reduced:	SiO3C35H58 (1)
Stoich.:	AB3C35D58 (1)
Weight, g/mol:	556.288362
ΔH_f, kcal/mol:	-245.63
Dipole, Da:	2.24
IP(EA), eV:	-8.72(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

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

CC(COCC1=CC=CC=C1)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O[Si](C)(C)C(C)(C)C)C)C)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

CC(COCC1=CC=CC=C1)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O[Si](C)(C)C(C)(C)C)C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):