Geometry & MOs

Info

ID:	268442
PubChem CID:	103599388
Reduced:	ClO3N5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	433.04985
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	1.08
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-iodofuran-2-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NCC(=O)NCCN2CCOCC2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations