Geometry & MOs

Info

ID:	323641
PubChem CID:	126675640
Reduced:	O3N6H26C28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	519.182792
ΔH_f, kcal/mol:	39.58
Dipole, Da:	5.31
IP(EA), eV:	-9.56(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cycloheptyl]-6-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC2(CC2)C#N)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)N6C=NC=N6

DOS

IR

Vibrations