Geometry & MOs

Info

ID:	323680
PubChem CID:	126675720
Reduced:	SF2N3O5H27C28 (1)
Stoich.:	AB2C3D5E27F28 (1)
Weight, g/mol:	530.187795
ΔH_f, kcal/mol:	-213.67
Dipole, Da:	10.48
IP(EA), eV:	-9.47(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(triazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations