Geometry & MOs

Info

ID:	244208
PubChem CID:	99319362
Reduced:	FNO2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	474.02022
ΔH_f, kcal/mol:	-214.92
Dipole, Da:	2.14
IP(EA), eV:	-9.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(E)-3-[5-bromo-2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations