Geometry & MOs

Info

ID:	235737
PubChem CID:	92710527
Reduced:	SF2N3O4C22H23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-223.79
Dipole, Da:	5.48
IP(EA), eV:	-9.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations