Geometry & MOs

Info

ID:	64529
PubChem CID:	29202774
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	308.100836
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	7.76
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-methoxypropyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

DOS

IR

Vibrations