Geometry & MOs

Info

ID:	191249
PubChem CID:	78123206
Reduced:	OSF3N3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	565.257671
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	6.63
IP(EA), eV:	-9.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[1-[[3-cyclohexyl-2-(furan-3-yl)-1-methylindole-6-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCSC1NC(C(C(=O)N1)C#N)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations