Geometry & MOs

Info

ID:	217560
PubChem CID:	85088002
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	379.084745
ΔH_f, kcal/mol:	19.68
Dipole, Da:	6.34
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-fluoro-3-(pyrazin-2-yloxymethyl)phenyl]-6-oxo-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1C(C(=O)NC(N1)SC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

DOS

IR

Vibrations