Geometry & MOs

Info

ID:	323614
PubChem CID:	126675583
Reduced:	O3N5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	500.20597
ΔH_f, kcal/mol:	14.81
Dipole, Da:	3.15
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-[6-(3-hydroxyoxetan-3-yl)pyridin-3-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=NC2(CC2)C#N)N)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6(CNC6)O

DOS

IR

Vibrations