Geometry & MOs

Info

ID:

298629

PubChem CID:

117652631

Reduced:

ClSO4N6C23H25 (1)

Stoich.:

ABC4D6E23F25 (1)

Weight, g/mol:

577.215904

ΔHf, kcal/mol:

-82.75

Dipole, Da:

5.12

IP(EA), eV:

 -8.79(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-[7-[4-[carbamoyl(cyclopropyl)amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-3-ethyl-1-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC=C(C=C2)C(=O)N([C@@H]3CCCNC3)C4=C(C=CC=N4)Cl)C(=O)NS(=O)(=O)C

DOS

IR

Vibrations