Geometry & MOs

Info

ID:	312507
PubChem CID:	126606074
Reduced:	FO3N7C24H30 (1)
Stoich.:	AB3C7D24E30 (1)
Weight, g/mol:	425.107022
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	4.56
IP(EA), eV:	-8.78(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(7-cyanoimidazo[1,2-a]pyridin-3-yl)-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CC(COC)NC(=O)C1=CNC2=NC=C(N=C12)C(=N)C3=C(C=C(C=C3)F)NCCN4CCOCC4

DOS

IR

Vibrations