Geometry & MOs

Info

ID:	79267
PubChem CID:	49747723
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-13.83
Dipole, Da:	4.12
IP(EA), eV:	-9.16(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2=C(N=NS2)C)N3CCOCC3

DOS

IR

Vibrations