Geometry & MOs

Info

ID:	323892
PubChem CID:	126676465
Reduced:	N9C17H19 (1)
Stoich.:	A9B17C19 (1)
Weight, g/mol:	520.203445
ΔH_f, kcal/mol:	151.11
Dipole, Da:	5.82
IP(EA), eV:	-8.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(NN=C2C=C1)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations