Geometry & MOs

Info

ID:	165165
PubChem CID:	74509065
Reduced:	SO3N5C19H34 (1)
Stoich.:	AB3C5D19E34 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-112.75
Dipole, Da:	10.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752831
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=S)NC1CC2C(=O)NCC([NH+]2C1)CCC(=O)N3CCCCC3

DOS

IR

Vibrations