Geometry & MOs

Info

ID:	323738
PubChem CID:	126675948
Reduced:	F2N2O3C25H28 (1)
Stoich.:	A2B2C3D25E28 (1)
Weight, g/mol:	565.184684
ΔH_f, kcal/mol:	-163.21
Dipole, Da:	2.36
IP(EA), eV:	-8.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(4-cyclopropylsulfanyl-3-methoxyphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=C(NC21)C3=CC=C(C=C3)OCC4CC=CC=C4C(F)F)CCC(=O)O

DOS

IR

Vibrations