Geometry & MOs

Info

ID:	144456
PubChem CID:	53370914
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	585.282527
ΔH_f, kcal/mol:	18.43
Dipole, Da:	4.17
IP(EA), eV:	-8.42(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1-benzothiophen-2-yl)-2-[2-(3-fluoro-4-phenylphenyl)propanoylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations