Geometry & MOs

Info

ID:	311731
PubChem CID:	126597590
Reduced:	ClFO2N7C22H23 (1)
Stoich.:	ABC2D7E22F23 (1)
Weight, g/mol:	382.155352
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	1.47
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](CN1CC[C@@H](C1)F)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)Cl)C

DOS

IR

Vibrations