Geometry & MOs

Info

ID:	323507
PubChem CID:	126675058
Reduced:	SF2N3O4H27C29 (1)
Stoich.:	AB2C3D4E27F29 (1)
Weight, g/mol:	486.251858
ΔH_f, kcal/mol:	-160.93
Dipole, Da:	8.48
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-hydroxycyclobutyl)phenyl]-N-[1-[(1-methylcyclopropyl)carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC6=C(CSCCO6)C=C5

DOS

IR

Vibrations