Geometry & MOs

Info

ID:	244191
PubChem CID:	99319293
Reduced:	IF2N2O2H13C16 (1)
Stoich.:	AB2C2D2E13F16 (1)
Weight, g/mol:	452.131441
ΔH_f, kcal/mol:	-113.75
Dipole, Da:	1.07
IP(EA), eV:	-9.71(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)I

DOS

IR

Vibrations