Geometry & MOs

Info

ID:	55594
PubChem CID:	17395621
Reduced:	BrN2S2O4C17H19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	7.1
IP(EA), eV:	-9.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(S1)Br)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3CC3

DOS

IR

Vibrations