Geometry & MOs

Info

ID:	219847
PubChem CID:	85164958
Reduced:	O2H19C21 (2)
Stoich.:	A2B19C21 (2)
Weight, g/mol:	608.271421
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	2.18
IP(EA), eV:	-8.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl] ethenyl ethyl phosphate

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

COC(=O)C(CC1=CC=CC=C1)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)CC6=CC=CC=C6)C7CCCC7

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

COC(=O)C(CC1=CC=CC=C1)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)CC6=CC=CC=C6)C7CCCC7

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):