Geometry & MOs

Info

ID:

323631

PubChem CID:

126675620

Reduced:

FN3O5H28C29 (1)

Stoich.:

AB3C5D28E29 (1)

Weight, g/mol:

487.210721

ΔHf, kcal/mol:

-127.89

Dipole, Da:

6.3

IP(EA), eV:

 -9.8(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3S)-1-[(1-cyanocyclopropyl)amino]-3-methyl-1-oxopentan-2-yl]-6-[4-(3-hydroxyoxetan-3-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC2(CC2)C#N)NC(=O)C3=C(C4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6(COC6)O)F

DOS

IR

Vibrations