Geometry & MOs

Info

ID:	69262
PubChem CID:	46530543
Reduced:	F2N5O5H13C17 (1)
Stoich.:	A2B5C5D13E17 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	8.34
IP(EA), eV:	-9.23(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations