Geometry & MOs

Info

ID:

323491

PubChem CID:

126675023

Reduced:

N2H38C49 (1)

Stoich.:

A2B38C49 (1)

Weight, g/mol:

595.195249

ΔHf, kcal/mol:

213.53

Dipole, Da:

3.86

IP(EA), eV:

 -7.86(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(4-hydroxy-1-oxothian-4-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8)C=C

DOS

IR

Vibrations