Geometry & MOs

Info

ID:	268401
PubChem CID:	103599265
Reduced:	ON5H19C26 (1)
Stoich.:	AB5C19D26 (1)
Weight, g/mol:	434.235162
ΔH_f, kcal/mol:	166.61
Dipole, Da:	7.06
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoyl]piperidin-4-yl]-N-methylethanesulfonamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3C#N)C#N)C4=CC=CC=C4

DOS

IR

Vibrations