Geometry & MOs

Info

ID:	89367
PubChem CID:	49961043
Reduced:	SO3N4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	375.31373
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	12.41
IP(EA), eV:	-8.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-methylfuran-2-yl)-N,N-dioctylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations