Geometry & MOs

Info

ID:

429789

PubChem CID:

135169841

Reduced:

SF3N3H12C14 (1)

Stoich.:

AB3C3D12E14 (1)

Weight, g/mol:

511.151447

ΔHf, kcal/mol:

-67.41

Dipole, Da:

4.37

IP(EA), eV:

 -9.0(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(E,5Z)-5-(aminomethylidene)-7,7,7-trifluoro-6-thieno[2,3-b]pyridin-4-yliminohept-3-en-4-yl]amino]-2-[(Z)-2-iminoethylideneamino]diazepine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)/C(=C/N)/C(=NC1=CN=CC2=C1C=CS2)C(F)(F)F

DOS

IR

Vibrations