Geometry & MOs

Info

ID:	415280
PubChem CID:	135088272
Reduced:	FN2S2O5C13H19 (1)
Stoich.:	AB2C2D5E13F19 (1)
Weight, g/mol:	457.268905
ΔH_f, kcal/mol:	-220.34
Dipole, Da:	10.09
IP(EA), eV:	-9.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxybenzoyl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)C2=CC=CC(=C2)F

DOS

IR

Vibrations