Geometry & MOs

Info

ID:	426089
PubChem CID:	135136904
Reduced:	ClFO3N6H20C23 (1)
Stoich.:	ABC3D6E20F23 (1)
Weight, g/mol:	533.151305
ΔH_f, kcal/mol:	-49.83
Dipole, Da:	5.82
IP(EA), eV:	-9.1(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2CCC1C(C2NC3=NC(=NC(=C3F)C4=CC=CO4)C5=CNC6=NC=C(N=C56)Cl)C(=O)O

DOS

IR

Vibrations