Geometry & MOs

Info

ID:	323682
PubChem CID:	126675724
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	553.148298
ΔH_f, kcal/mol:	-153.64
Dipole, Da:	2.2
IP(EA), eV:	-9.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=CC(=CC=C2)OC3=CC=CC(=C3)CO

DOS

IR

Vibrations