Geometry & MOs

Info

ID:	312508
PubChem CID:	126606119
Reduced:	FSO2N7H16C19 (1)
Stoich.:	ABC2D7E16F19 (1)
Weight, g/mol:	382.155352
ΔH_f, kcal/mol:	35.05
Dipole, Da:	3.42
IP(EA), eV:	-9.2(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-(3-hydroxycyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(COC)NC(=O)C1=CN(C2=NC=C(N=C12)C3=CN=C4N3C=CC(=C4)C#N)SF

DOS

IR

Vibrations