Geometry & MOs

Info

ID:	403274
PubChem CID:	135059487
Reduced:	OSiC26H32 (1)
Stoich.:	ABC26D32 (1)
Weight, g/mol:	699.925313
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	0.92
IP(EA), eV:	-8.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(Z)-[5,5-bis(trifluoromethyl)-1,3-oxathiolan-2-ylidene]amino]-5,5-bis(trifluoromethyl)-1,3-oxathiolan-2-yl]-5,5-bis(trifluoromethyl)-1,3-oxathiolan-2-imine

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

CC1(C(=C[Si](O1)(C(C)(C)C)C(C)(C)C)C2=CC=CC=C2)C#CC3=CC=CC=C3

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

CC1(C(=C[Si](O1)(C(C)(C)C)C(C)(C)C)C2=CC=CC=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):