Geometry & MOs

Info

ID:	323486
PubChem CID:	126674985
Reduced:	FO2N6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	535.191877
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	0.73
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(oxetan-3-yloxy)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)COC2CNC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CN(N=C4)C)N)F

DOS

IR

Vibrations