Geometry & MOs

Info

ID:	268502
PubChem CID:	103599665
Reduced:	SO2N7H21C22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	96.22
Dipole, Da:	5.51
IP(EA), eV:	-9.15(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C(=CC2=CC(=CC=C2)OC)C(=O)NC(C)C3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations