Geometry & MOs

Info

ID:	226190
PubChem CID:	87349897
Reduced:	ClNF6H10C12 (1)
Stoich.:	ABC6D10E12 (1)
Weight, g/mol:	425.155098
ΔH_f, kcal/mol:	-311.08
Dipole, Da:	2.98
IP(EA), eV:	-9.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-pyrazin-2-ylbenzamide

Drug info:

PubChemData

Smile

C1CNCC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations