Geometry & MOs

Info

ID:	79743
PubChem CID:	49830221
Reduced:	S2N3O4C27H39 (1)
Stoich.:	A2B3C4D27E39 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-175.48
Dipole, Da:	4.32
IP(EA), eV:	-8.26(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C)COC(=O)C(C)(C)C)C

DOS

IR

Vibrations