Geometry & MOs

Info

ID:	49584
PubChem CID:	11533312
Reduced:	INOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	494.143764
ΔH_f, kcal/mol:	26.92
Dipole, Da:	0.28
IP(EA), eV:	-9.28(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-[2-[[(E)-2-cyano-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino]ethyl]-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1/C(=C(/C2=CC=CC=C2)\I)/I)OC

DOS

IR

Vibrations