Geometry & MOs

Info

ID:	312493
PubChem CID:	126605861
Reduced:	ClSF2O2N6H17C18 (1)
Stoich.:	ABC2D2E6F17G18 (1)
Weight, g/mol:	450.128566
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	2.9
IP(EA), eV:	-9.3(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(1,3-dihydroxybutan-2-ylcarbamoyl)-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CC(COC)NC(=O)C1=CN(C2=NC=C(N=C12)C(=N)C3=C(C=C(C=C3F)Cl)N)SF

DOS

IR

Vibrations