Geometry & MOs

Info

ID:	82053
PubChem CID:	49855530
Reduced:	OF2N5C25H27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	426.186732
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	2.84
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)C[C@@H](C(=O)N2CCN3C(=NC(=C3NC4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C2)N

DOS

IR

Vibrations