Geometry & MOs

Info

ID:	69273
PubChem CID:	46530558
Reduced:	F2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	417.150012
ΔH_f, kcal/mol:	-160.63
Dipole, Da:	9.87
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)OC)OC(F)F

DOS

IR

Vibrations