Geometry & MOs

Info

ID:	66361
PubChem CID:	46504443
Reduced:	N3O6H23C26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	488.158351
ΔH_f, kcal/mol:	-137.86
Dipole, Da:	3.64
IP(EA), eV:	-9.03(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NCCO)C(=O)C5=CC=CO5

DOS

IR

Vibrations