Geometry & MOs

Info

ID:	82054
PubChem CID:	49855531
Reduced:	F2O2N4C23H24 (1)
Stoich.:	A2B2C4D23E24 (1)
Weight, g/mol:	460.14776
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	2.68
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[3-(4-chloro-3-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

CC(C)[C@@H](C(=O)N1CCN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C1)O

DOS

IR

Vibrations