Geometry & MOs

Info

ID:	406726
PubChem CID:	135078453
Reduced:	ClS2F3O5H12C21 (1)
Stoich.:	AB2C3D5E12F21 (1)
Weight, g/mol:	1034.634796
ΔH_f, kcal/mol:	-252.84
Dipole, Da:	6.79
IP(EA), eV:	-9.35(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]-2-[2-[2-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolane

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

C1=CC=C(C=C1)CC2=C3C(=CC(=C2)Cl)C(=O)C(=C(O3)C4=CC=CS4)OS(=O)(=O)C(F)(F)F

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

C1=CC=C(C=C1)CC2=C3C(=CC(=C2)Cl)C(=O)C(=C(O3)C4=CC=CS4)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):