Geometry & MOs

Info

ID:	64813
PubChem CID:	29204036
Reduced:	FSN2O5C21H21 (1)
Stoich.:	ABC2D5E21F21 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-149.0
Dipole, Da:	8.74
IP(EA), eV:	-9.52(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N(CC3=CC=C(O3)C)[C@@H]4CCS(=O)(=O)C4)F

DOS

IR

Vibrations