Geometry & MOs

Info

ID:	323894
PubChem CID:	126676468
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	562.202776
ΔH_f, kcal/mol:	-160.87
Dipole, Da:	1.5
IP(EA), eV:	-9.06(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)OC3=CC=CC(=C3)CO

DOS

IR

Vibrations