Geometry & MOs

Info

ID:	441042
PubChem CID:	135232855
Reduced:	ClF3O3N5H29C30 (1)
Stoich.:	AB3C3D5E29F30 (1)
Weight, g/mol:	417.141946
ΔH_f, kcal/mol:	-210.39
Dipole, Da:	5.88
IP(EA), eV:	-9.37(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[1H-indol-5-yl(methyl)amino]propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CC=C2)F)[C@@H](C3=CC=CC=C3CCl)C(=O)NC4CCC(CC4)(F)F)C5=NC=CN=C5

DOS

IR

Vibrations