Geometry & MOs

Info

ID:	297451
PubChem CID:	117618164
Reduced:	FON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	460.142594
ΔH_f, kcal/mol:	8.55
Dipole, Da:	2.52
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[2-[2-chloro-5-[(3-fluoropyrrolidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C3=CN4C=C(C=NC4=N3)C5=CCCC5

DOS

IR

Vibrations