Geometry & MOs

Info

ID:	323679
PubChem CID:	126675719
Reduced:	ON9C21H25 (1)
Stoich.:	AB9C21D25 (1)
Weight, g/mol:	555.163948
ΔH_f, kcal/mol:	103.45
Dipole, Da:	4.8
IP(EA), eV:	-8.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)OC2=CC=CC(=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations