Geometry & MOs

Info

ID:	133252
PubChem CID:	51498421
Reduced:	N2S2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	370.169271
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	2.62
IP(EA), eV:	-9.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(2-fluorophenoxy)butanamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CS1)NC(=O)[C@@H]2C=CCN2S(=O)(=O)C

DOS

IR

Vibrations