Geometry & MOs

Info

ID:	298077
PubChem CID:	117647454
Reduced:	FSO3N5C21H30 (1)
Stoich.:	ABC3D5E21F30 (1)
Weight, g/mol:	422.197886
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	5.72
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-amino-3-bicyclo[4.1.0]heptanyl)amino]-5-fluoro-2-[(5-pyrazol-1-ylpyridin-3-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CCSC)NC1=C(C=C(C(=N1)NC2=CC(=CC=C2)OCCOC)C(=O)N)F)N

DOS

IR

Vibrations