Geometry & MOs

Info

ID:	323630
PubChem CID:	126675619
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	517.201299
ΔH_f, kcal/mol:	-82.98
Dipole, Da:	4.1
IP(EA), eV:	-9.64(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-3-fluoro-6-[4-(3-hydroxyoxetan-3-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1(CC1)C#N)NC(=O)C2=CC3=C(O2)C=C(C=C3)C4=CC=C(C=C4)C5(COC5)O

DOS

IR

Vibrations