Geometry & MOs

Info

ID:	323640
PubChem CID:	126675639
Reduced:	FSN3O5C31H32 (1)
Stoich.:	ABC3D5E31F32 (1)
Weight, g/mol:	494.206639
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	3.08
IP(EA), eV:	-9.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-[4-(1,2,4-triazol-1-yl)phenyl]-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)C6(CCS(=O)(=O)CC6)F

DOS

IR

Vibrations