Geometry & MOs

Info

ID:

435310

PubChem CID:

135189450

Reduced:

F2N3O5C31H33 (1)

Stoich.:

A2B3C5D31E33 (1)

Weight, g/mol:

550.21401

ΔHf, kcal/mol:

-229.54

Dipole, Da:

7.03

IP(EA), eV:

 -9.47(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[carbamoyl(methanimidoyl)amino]phenyl]-N-[4,4-difluoro-1-[(1-methanimidoylcyclopropyl)carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C=N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6(CCOCC6)O

DOS

IR

Vibrations