Geometry & MOs

Info

ID:	268275
PubChem CID:	103598688
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	392.190006
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	6.34
IP(EA), eV:	-8.75(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-3-(2-fluorophenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NCC(=O)NCC2=CC=C(C=C2)OC

DOS

IR

Vibrations