Geometry & MOs

Info

ID:	61581
PubChem CID:	26710692
Reduced:	SO2N7C21H21 (1)
Stoich.:	AB2C7D21E21 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	52.27
Dipole, Da:	6.16
IP(EA), eV:	-8.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations