Geometry & MOs

Info

ID:	312492
PubChem CID:	126605854
Reduced:	ClFSO2N7H17C20 (1)
Stoich.:	ABCD2E7F17G20 (1)
Weight, g/mol:	454.079029
ΔH_f, kcal/mol:	27.47
Dipole, Da:	5.02
IP(EA), eV:	-8.69(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-amino-4-chloro-6-fluorobenzenecarboximidoyl)-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CC(C1=NC=CO1)NC(=O)C2=CN(C3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)Cl)NC)SF

DOS

IR

Vibrations