Geometry & MOs

Info

ID:

323506

PubChem CID:

126675057

Reduced:

F2N4O5H22C27 (1)

Stoich.:

A2B4C5D22E27 (1)

Weight, g/mol:

551.169034

ΔHf, kcal/mol:

-192.09

Dipole, Da:

6.21

IP(EA), eV:

 -9.53(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(3,5-dihydro-2H-1,4-benzoxathiepin-8-yl)-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=CC6=C(C=C5)OC(=O)N6

DOS

IR

Vibrations