Geometry & MOs

Info

ID:	66362
PubChem CID:	46504447
Reduced:	N2O7H24C27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	474.142701
ΔH_f, kcal/mol:	-173.75
Dipole, Da:	2.91
IP(EA), eV:	-8.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCCO3)NC(=O)/C=C\C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations