Geometry & MOs

Info

ID:	222111
PubChem CID:	85294226
Reduced:	SiO10C32H58 (1)
Stoich.:	AB10C32D58 (1)
Weight, g/mol:	638.439384
ΔH_f, kcal/mol:	-521.15
Dipole, Da:	6.15
IP(EA), eV:	-8.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-3-[6-[1-[6-[4-(4-methoxy-6-methyloxan-2-yl)butan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-2,3-dihydropyran-6-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

CC12CCC3C(CCC(C(O3)CCCOCOC)(C)OCOC)OC1CC=C(O2)C(=O)CC(CO[Si](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

CC12CCC3C(CCC(C(O3)CCCOCOC)(C)OCOC)OC1CC=C(O2)C(=O)CC(CO[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):