Geometry & MOs

Info

ID:	196702
PubChem CID:	78866725
Reduced:	FSO2N5C21H24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	4.08
IP(EA), eV:	-8.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyano-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(N3C)N4CCOCC4

DOS

IR

Vibrations