Geometry & MOs

Info

ID:	240
PubChem CID:	2389
Reduced:	N4O6H20C23 (1)
Stoich.:	A4B6C20D23 (1)
Weight, g/mol:	448.138284
ΔH_f, kcal/mol:	-126.03
Dipole, Da:	3.51
IP(EA), eV:	-8.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[3-[[2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=C(C#N)C(=O)NCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)O)O

DOS

IR

Vibrations