Geometry & MOs

Info

ID:	323611
PubChem CID:	126675580
Reduced:	SN4O5C26H26 (1)
Stoich.:	AB4C5D26E26 (1)
Weight, g/mol:	575.209007
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	6.43
IP(EA), eV:	-9.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(O3)C(=O)NC4(CCCCC4)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations