Geometry & MOs

Info

ID:	268233
PubChem CID:	103598498
Reduced:	OSN4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	350.049191
ΔH_f, kcal/mol:	63.51
Dipole, Da:	4.1
IP(EA), eV:	-9.67(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)C=CC2=NC3=CC=CC=C3N=C2

DOS

IR

Vibrations