Geometry & MOs

Info

ID:

435309

PubChem CID:

135189151

Reduced:

N8O17C44H52 (1)

Stoich.:

A8B17C44D52 (1)

Weight, g/mol:

565.238827

ΔHf, kcal/mol:

-700.2

Dipole, Da:

10.4

IP(EA), eV:

 -8.98(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CCC(CCC(=O)NC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations