Geometry & MOs

Info

ID:

311418

PubChem CID:

126592345

Reduced:

ON5H39C60 (1)

Stoich.:

AB5C39D60 (1)

Weight, g/mol:

504.99685

ΔHf, kcal/mol:

261.22

Dipole, Da:

1.95

IP(EA), eV:

 -8.16(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-fluoro-4-iodoanilino)-7-[hydroxy-(2-hydroxyethoxyamino)methyl]-5-methylthieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC(=CC(=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=NC(=NC(=N1)C1=C2C3=CC=CC=C3OC2=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations