Geometry & MOs

Info

ID:	244143
PubChem CID:	99319102
Reduced:	SF2N3O3H15C18 (1)
Stoich.:	AB2C3D3E15F18 (1)
Weight, g/mol:	430.096283
ΔH_f, kcal/mol:	-133.87
Dipole, Da:	3.36
IP(EA), eV:	-9.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NC(=CS2)CC(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations