Geometry & MOs

Info

ID:	312515
PubChem CID:	126606172
Reduced:	FSO3N5H12C15 (1)
Stoich.:	ABC3D5E12F15 (1)
Weight, g/mol:	474.15397
ΔH_f, kcal/mol:	48.15
Dipole, Da:	2.5
IP(EA), eV:	-9.09(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](C(OC1N2C=C(C3=C(N=CN=C32)C4=CC=CS4)F)CN=O)N=O

DOS

IR

Vibrations