Geometry & MOs

Info

ID:	61606
PubChem CID:	26710908
Reduced:	FN3O3S3C21H22 (1)
Stoich.:	AB3C3D3E21F22 (1)
Weight, g/mol:	338.143056
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	5.6
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations