Geometry & MOs

Info

ID:	215188
PubChem CID:	85084337
Reduced:	SSiO7C43H56 (1)
Stoich.:	ABC7D43E56 (1)
Weight, g/mol:	745.26182
ΔH_f, kcal/mol:	-301.31
Dipole, Da:	3.21
IP(EA), eV:	-8.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-bromo-3-[6-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]prop-2-enenitrile

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(=O)OC(CC(CC(CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OCOC)OCOC)CC(C3=CC=CC=C3)SC4=CC=CC=C4

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(=O)OC(CC(CC(CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OCOC)OCOC)CC(C3=CC=CC=C3)SC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):