Geometry & MOs

Info

ID:	395690
PubChem CID:	135026267
Reduced:	SSiO5C35H44 (1)
Stoich.:	ABC5D35E44 (1)
Weight, g/mol:	540.290716
ΔH_f, kcal/mol:	-197.72
Dipole, Da:	4.13
IP(EA), eV:	-8.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-ditert-butyl-3-methoxy-10-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]-6,8,16-trioxa-7-silatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,9,11,13-hexaene

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(C)(C)[Si]1(OCC2C3C(O1)C(C3(OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(O2)SC6=CC=CC=C6)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

CC(C)(C)[Si]1(OCC2C3C(O1)C(C3(OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(O2)SC6=CC=CC=C6)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):