Geometry & MOs

Info

ID:

322160

PubChem CID:

126669020

Reduced:

FNO2C12H14 (1)

Stoich.:

ABC2D12E14 (1)

Weight, g/mol:

930.332366

ΔHf, kcal/mol:

-126.63

Dipole, Da:

3.49

IP(EA), eV:

-9.78(-0.28)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[5-[5-[4-[(Z)-C-[2-chloro-5-[4-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]phenyl]phenyl]-N-ethoxycarbonimidoyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C(CC(CC1=O)C2=CC=C(C=C2)F)O

DOS

IR

Vibrations