Geometry & MOs

Info

ID:	244010
PubChem CID:	99309257
Reduced:	SF2N3O3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	353.153955
ΔH_f, kcal/mol:	-186.03
Dipole, Da:	3.78
IP(EA), eV:	-9.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methyl-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](NC(=O)[C@H](S1)CC2=CC=CC=C2F)C(=O)NCCNC(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations