Geometry & MOs

Info

ID:	323639
PubChem CID:	126675637
Reduced:	N9C19H21 (1)
Stoich.:	A9B19C21 (1)
Weight, g/mol:	577.20467
ΔH_f, kcal/mol:	160.46
Dipole, Da:	5.01
IP(EA), eV:	-8.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-[4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations